# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-04-11T09:26:28+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 17 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
"1000182","5.0875","0.0001","5.0875","0.0001","12.7319","0.0004","90","","90","","90","","329.5","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ammonium tetrafluoroaluminate","","- Al F4 H4 N -","- Al F4 H4 N -","- Al4 F16 H16 N4 -","4","0.125","","Bulou, A; Leble, A; Hewat, A W","NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by Neutron Powder Profile Refinement","Materials Research Bulletin","1982","17","","391","397","10.1016/0025-5408(82)90090-3","","","","","","0.0863","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000183","5.0564","0.0001","5.0564","0.0001","12.7113","0.0002","90","","90","","90","","325","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Ammonium tetrafluoroaluminate","","- Al F4 H4 N -","- Al F4 H4 N -","- Al4 F16 H16 N4 -","4","0.25","","Bulou, A; Leble, A; Hewat, A W","NH~4~AlF~4~: Determination of the Ordered and Disordered Structures by Neutron Powder Profile Refinement","Materials Research Bulletin","1982","17","","391","397","10.1016/0025-5408(82)90090-3","","","","","","0.0656","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001157","3.744","","11.337","","20.047","","90","","90","","90","","850.9","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Europium strontium copper oxide (1.3/1.7/2/5.65)","","- Cu2 Eu1.3 O5.65 Sr1.7 -","- Cu2 Eu1.3 O5.65067 Sr1.7 -","- Cu12 Eu7.8 O33.904 Sr10.2 -","6","0.375","","Nguyen, N; Choisnet, J; Raveau, B","Intercroissances des structures de type Perovskite et Sr O deficitaires en oxygene: les oxydes Ln~2-x~ Sr~1+x~ Cu~2~ O~6-x/2~ (Ln = Sm, Eu, Gd)","Materials Research Bulletin","1982","17","","567","573","10.1016/0025-5408(82)90037-X","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001256","12.25","","12.25","","3.83","","90","","90","","90","","574.7","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Tin tungsten oxide (.3/1/3)","","- O3 Sn0.3 W -","- O3 Sn0.26 W -","- O30 Sn2.6 W10 -","10","0.625","","Goreaud, M; Labbe, P; Monfort, Y; Raveau, B","Comportement de Sn(II) dans les bronzes quadratiques de tungstene. Surstructure de Sn~.3~ W O~3~","Revue de Chimie Minerale","1980","17","","79","87","","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004128","10.94","","10.94","","10.94","","90","","90","","90","","1309.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Sodium bismuth oxide hydrate *","","- Bi2.51 H1.3 Na1.09 O6.86 -","- Bi2.51 H1.98 Na1.09 O6.86 -","- Bi20.08 H15.84 Na8.72 O54.88 -","8","0.0416667","","Trehoux, J; Abraham, F; Thomas, D","Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)- Bi-O","Materials Research Bulletin","1982","17","","1235","1243","10.1016/0025-5408(82)90158-1","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004129","10.035","0.015","10.035","","10.035","","90","","90","","90","","1010.5","","","","","","","","","","","","","4","P n -3 :1","P 2 2 3 -1n","201","","Potassium catena-bismuthate 0.25-hydrate","","- Bi H0.5 K O3.25 -","- Bi H0.0833333 K O3.02083 -","- Bi12 H K12 O36.25 -","12","0.5","","Trehoux, J; Abraham, F; Thomas, D","Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)- Bi-O","Materials Research Bulletin","1982","17","","1235","1243","10.1016/0025-5408(82)90158-1","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008059","7.911","0.002","7.861","0.001","18.092","0.003","90","","90","","90","","1125.1","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium antimony trifluoride nitrate","","- F3 K N O3 Sb -","- F3 K N O3 Sb -","- F24 K8 N8 O24 Sb8 -","8","1","","Bourgault, M; Ducourant, M B; Mascherpa Corral, D; Fourcade, R","Structure cristalline et moleculaire de K Sb F~3~ N O~3~","Journal of Fluorine Chemistry","1981","17","","215","224","10.1016/S0022-1139(00)81284-1","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008120","18.18","0.01","11.505","0.007","5.66","0.003","90","","90","","90","","1183.9","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Sodium antimony trifluoride nitrate hydrate","","- F3 H2 N Na O4 Sb -","- F3 H2 N Na O4 Sb -","- F24 H16 N8 Na8 O32 Sb8 -","8","1","","Bourgault, M; Ducourant, B; Mascherpa Corral, D; Fourcade, R","Structure cristalline de Na Sb F~3~ (N O~3~) (H~2~ O). Etude de la liaison hydrogene O-H-X (X=Cl, Br, (N O~3~) )","Journal of Fluorine Chemistry","1981","17","","305","315","10.1016/S0022-1139(00)81777-7","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1008149","5.385","","9.815","","12.289","","90","","99.53","","90","","640.6","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Ruthenium(V) fluoride","","- F5 Ru -","- F5 Ru -","- F40 Ru8 -","8","2","","Darriet, J; Soubeyroux, J L; Touhara, H; Tressaud, A; Hagenmueller, P","Interactions magnetiques intra- et interclusters dans les pentafluorures Ru F~5~ Et Os F~5~","Materials Research Bulletin","1982","17","","315","324","10.1016/0025-5408(82)90079-4","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008150","5.403","","9.866","","12.336","","90","","99.13","","90","","649.3","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Osmium(V) fluoride","","- F5 Os -","- F5 Os -","- F40 Os8 -","8","2","","Darriet, J; Soubeyroux, J L; Touhara, H; Tressaud, A; Hagenmueller, P","Interactions magnetiques intra- et interclusters dans les pentafluorures Ru F~5~ Et Os F~5~","Materials Research Bulletin","1982","17","","315","324","10.1016/0025-5408(82)90079-4","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008151","7.897","0.002","7.897","0.002","6.506","0.001","90","","90","","90","","405.7","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Caesium tetrafluorotitanate(III)","","- Cs F4 Ti -","- Cs F4 Ti -","- Cs4 F16 Ti4 -","4","0.25","","Sabatier, R; Vasson, A M; Vasson, A; Lethuillier, P; Soubeyroux, J L; Chevalier, R; Cousseins, J C","Structural and magnetic studies of cesium fluorotitanate (Cs Ti F~4~)","Materials Research Bulletin","1982","17","","369","377","10.1016/0025-5408(82)90087-3","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008153","9.727","","9.976","","3.136","","90","","90","","90","","304.3","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","Calcium dititanium(III) oxide","","- Ca O4 Ti2 -","- Ca O4 Ti2 -","- Ca4 O16 Ti8 -","4","0.25","","Bertaut, F; Blum, P","Determination de la structure de Ti~2~ Ca O~4~ par la methode statistique","Journal de Physique et du Radium","1956","17","","517","518","10.1051/jphysrad:01956001707051700","","","","","","0.16","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008221","8.333","","5.326","","6.861","","90","","90","","90","","304.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Europium(II) sulfate","","- Eu O4 S -","","","4","0.5","","Mayer, I; Levy, E; Glasner, A","The Crystal Structure of Eu S O~4~ and Eu C O~3~","Acta Crystallographica (1,1948-23,1967)","1964","17","","1071","1072","10.1107/S0365110X64002699","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008222","5.102","","8.422","","6.03","","90","","90","","90","","259.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Europium(II) carbonate","","- C Eu O3 -","","","4","0.5","","Mayer, I; Levy, E; Glasner, A","The Crystal Structure of Eu S O~4~ and Eu C O~3~","Acta Crystallographica (1,1948-23,1967)","1964","17","","1071","1072","10.1107/S0365110X64002699","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1009073","4.937","","4.432","","2.994","","90","","90","","90","","65.5","","","","","","","","","","","","","3","P 21 n m","P -2 2ac","31","","Iron oxide hydroxide - HP","","- Fe H O2 -","- Fe H2 O2 -","- Fe2 H4 O4 -","2","0.5","","Pernet, M; Joubert, J C; Berthet-Colominas, C","Etude par diffraction neutronique de la forme haute pression de Fe O O H","Solid State Communications","1975","17","","1505","1510","10.1016/0038-1098(75)90983-7","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010437","6.19","","11.6","","4.28","","90","","90","","90","","307.3","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","Calcium diborate","","- B2 Ca O4 -","- B2 Ca O4 -","- B8 Ca4 O16 -","4","0.5","","Zachariasen, W H","The Crystal Lattice of Calcium Metaborate, Ca B~2~ O~4~","Proceedings of the National Academy of Sciences, U.S.A.","1931","17","","617","619","10.1073/pnas.17.11.617","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010513","6.55","","6.55","","6.55","","90","","90","","90","","281","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Kiby, W","Die Kristallstruktur von ""Natriumchlorat"" (Na Cl O~3~).","Zeitschrift fuer Physik","1923","17","","213","250","10.1007/BF01328680","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010822","12.11","0.01","12.11","0.01","12.11","0.01","90","","90","","90","","1776","","","","","","","","","","","","","4","","","","","Dodecatungstosilicic acid","","- H4 O40 Si W12 -","","","","","","Signer, R; Gross, H","Ueber den Bau einiqer Heteropolysaeuren","Helvetica Chimica Acta","1934","17","","1076","1080","10.1002/hlca.193401701135","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010823","12.11","0.01","12.11","0.01","12.11","0.01","90","","90","","90","","1776","","","","","","","","","","","","","4","","","","","Dodecatungstoboric acid","","- B H5 O40 W12 -","","","","","","Signer, R; Gross, H","Ueber den Bau einiger Heteropolysaeuren","Helvetica Chimica Acta","1934","17","","1076","1080","10.1002/hlca.193401701135","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010824","12.13","0.03","12.13","0.03","12.13","0.03","90","","90","","90","","1784.8","","","","","","","","","","","","","3","","","","","Dodecatungstic acid","","- H8 O40 W12 -","","","","","","Signer, R; Gross, H","Ueber den Bau einiger Heteropolysaeuren","Helvetica Chimica Acta","1934","17","","1076","1080","10.1002/hlca.193401701135","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010920","3.802","","3.802","","16.42999","","90","","90","","120","","205.7","","","","","","","","","","","","from Summitville, Colorado","2","P 63/m m c","-P 6c 2c","194","","Copper sulfide","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Roberts, H S; Ksanda, C J","The Crystal Structure of Covellite","American Journal of Science, Serie 5(1,1921-1938)","1929","17","","489","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011068","8.09","0.02","8.09","0.02","8.09","0.02","90","","90","","90","","529.5","","","","","","","","","","","","synthetic","4","P a -3","-P 2ac 2ab 3","205","","Dipotassium sodium hexafluoroaluminate","Elpasolite","- Al F6 K2 Na -","- Al F6 K2 Na -","- Al4 F24 K8 Na4 -","4","0.166667","","Menzer, G","Ueber die Kristallstrukturen der Kryolithgruppe","Fortschritte der Mineralogie","1932","17","","61","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011108","3.958","","3.958","","3.958","","90","","90","","90","","62","","","","","","","","","","","","loaded) - synthetic","1","F m -3 m","-F 4 2 3","225","Palladium","Palladium","Palladium","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","Hull, A W","X-ray crystal analysis of 13 common metals","Physical Review (1,1893-132,1963/141,1966-188,1969)","1921","17","","571","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011109","3.938","","3.938","","3.938","","90","","90","","90","","61.1","","","","","","","","","","","","loaded) - synthetic","1","F m -3 m","-F 4 2 3","225","Platinum","Platinum","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Hull, A W","Crystal structures of common elements","Physical Review (1,1893-132,1963/141,1966-188,1969)","1921","17","","571","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011192","6.008","","3.784","","14.456","","90","","90","","90","","328.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Copper(I) antimony sulfide","Wolfsbergite","- Cu S2 Sb -","- Cu S2 Sb -","- Cu4 S8 Sb4 -","4","0.5","","Hofmann, W","Strukturelle und morphologische Zusammenhaenge bei Erzen vom Formeltyp A B C2","Fortschritte der Mineralogie","1932","17","","422","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011284","12.1","","12.1","","12.1","","90","","90","","90","","1771.6","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Magnesium borate chloride *","Boracite","- B14 Cl2 Mg6 O26 -","- B14 Cl2 Mg6 O26 -","- B56 Cl8 Mg24 O104 -","4","0.0416667","","Mehmel, M","Kristallstrukturelle Untersuchungen an Borazit","Fortschritte der Mineralogie","1932","17","","436","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011356","7.94","","7.94","","4.108","","90","","90","","120","","224.3","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Strontium chloride hexahydrate","Antarcticite (Sr)","- Cl2 H12 O6 Sr -","- Cl2 H2 O6 Sr -","- Cl2 H2 O6 Sr -","1","0.166667","","Jensen, A T","On the structure of Sr Cl2 (H2 O)6","Kongelige Danske Videnskabernes Selskab, Matematisk-Fysike Meddelelser","1940","17","","1","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100062","5.4632","0.0002","5.4632","0.0002","5.0859","0.0006","90","","90","","120","","131.5","","","","","","","","","","","","","4","P 63","P 6c","173","","Lithium Iron Iodate (1/0.3333/2/6)","","- Fe0.333 I2 Li O6 -","- Fe0.3334 I2 Li O6 -","- Fe0.3334 I2 Li O6 -","1","0.166667","","Lan, Y; Chen, X; Tao, Z; Xie, A; Jiang, P; Xu, T; Xu, Y","X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe~1/3~)(IO~3~)~2~","Power Diffraction","2002","17","","132","134","10.1154/1.1460872","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100090","5.922","0.006","13.604","0.004","7.905","0.005","90","","90.85","0.17","90","","636.8","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Magnesium sulfate tetrahydrate","Starkeyite","- H8 Mg O8 S -","- H8 Mg O8 S -","- H32 Mg4 O32 S4 -","4","1","","Baur, W. H.","On the crystal chemistry of salt hydrates. II. A neutron diffraction study of MgSO~4~.4H~2~O","Acta Crystallographica","1964","17","7","863","869","10.1107/S0365110X64002304","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","200382","2020-10-21","18:00:00",""
"1100091","11.868","0.01","11.996","0.01","6.857","0.007","90","","90","","90","","976.2","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Magnesium sulfate heptahydrate","Epsomite","- H14 Mg O11 S -","- H14 Mg O11 S -","- H56 Mg4 O44 S4 -","4","1","","Baur, W H","On the Crystal Chemistry of Salt Hydrates. IV. The Refinement of the Crystal Structure of Mg S O4 (H2 O)7 (Epsomite)","Acta Crystallographica (1,1948-23,1967)","1964","17","","1361","1369","10.1107/S0365110X64003449","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1100100","10.11","0.005","7.212","0.004","24.40999","0.01","90","","98.3","0.05","90","","1761.2","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Magnesium sulfate hexahydrate","Hexahydrite","?","- H12 Mg O10 S -","- H96 Mg8 O80 S8 -","8","1","","Zalkin, A.; Ruben, H.; Templeton, D. H.","The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate","Acta Crystallographica (1,1948-23,1967)","1964","17","3","235","240","10.1107/S0365110X64000603","","","","","","0.115","","","","","","","","","","","","","","","has coordinates","189442","2020-10-21","18:00:00",""
"1100545","9.171","0.001","18.282","0.002","19.142","0.002","108.4","0.01","95.72","0.01","90.54","0.01","3027.34","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 Mo P6 -","- C30 H30 Mo P6 -","- C120 H120 Mo4 P24 -","4","2","","Elschenbroich, Christoph; Voss, Steffen; Schiemann, Olav; Lippek, Andrea; Harms, Klaus","η^1^-Coordination of Phosphinine to Chromium, Molybdenum, and Tungsten","Organometallics","1998","17","20","4417","4424","10.1021/om9804879","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100546","9.168","0.0015","18.318","0.002","19.158","0.002","108.367","0.009","95.753","0.01","90.602","0.01","3035.08","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 P6 W -","- C30 H30 P6 W -","- C120 H120 P24 W4 -","4","2","","Elschenbroich, Christoph; Voss, Steffen; Schiemann, Olav; Lippek, Andrea; Harms, Klaus","η^1^-Coordination of Phosphinine to Chromium, Molybdenum, and Tungsten","Organometallics","1998","17","20","4417","4424","10.1021/om9804879","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1101123","14.045","0.001","11.749","0.0007","19.701","0.002","90","","90","","90","","3251","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Cl2 Cu N4 O4 -","- C10 H16 Cl2 Cu N4 O4 -","- C80 H128 Cl16 Cu8 N32 O32 -","8","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.","Polyhedron","1998","17","","3409","3418","10.1016/S0277-5387(98)00122-3","","","","","","","0.0415","","","0.0967","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101127","8.0064","0.0006","9.3736","0.0006","10.6279","0.0005","71.414","0.007","81.536","0.006","70.904","0.008","713.59","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl2 Hg N4 O2 -","- C10 H12 Cl2 Hg N4 O2 -","- C20 H24 Cl4 Hg2 N8 O4 -","2","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.","Polyhedron","1998","17","","3409","3418","10.1016/S0277-5387(98)00122-3","","","","","","","0.0436","","","0.1182","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101128","13.315","0.002","8.539","0.002","13.932","0.002","90","","108.728","0.009","90","","1500.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl Hg N5 O5 -","- C10 H12 Cl Hg N5 O5 -","- C40 H48 Cl4 Hg4 N20 O20 -","4","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.","Polyhedron","1998","17","","3409","3418","10.1016/S0277-5387(98)00122-3","","","","","","","0.0583","","","0.1418","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101134","11.076","0.001","11.045","0.002","24.728","0.002","91.19","0.01","94.5","0.01","108.67","0.01","2853.7","0.6","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C15 H31.75 Cl0.88 K0.88 N3 O8.38 Pd3 S3 -","- C15 H27 Cl0.875 K0.875 N3 O8.375 Pd3 S3 -","- C60 H108 Cl3.5 K3.5 N12 O33.5 Pd12 S12 -","4","4","","G. Cervantes; V. Moreno; E. Molins; Miguel Quirós","Pd(II) and Pt(II) D-penicillamine complexes. Crystal structure of a tridentate D-penicillamine cluster of Pd(II)","Polyhedron","1998","17","","3343","3350","10.1016/S0277-5387(98)00114-4","","","","","","","0.0585","","","0.1454","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1508972","4.6944","","4.6944","","4.6944","","90","","90","","90","","103.452","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cadmium silver oxide (.9995/0.001/1)","","- Ag0.001 Cd0.9995 O -","- Ag0.0001 Cd0.9995 O -","- Ag0.0004 Cd3.998 O4 -","4","0.0208333","","Cimino, A.; Marezio, M.","Lattice Parameter and Defect Structure of Cadmium Oxide Containing Foreign Atoms","Journal of Physics and Chemistry of Solids","1960","17","","57","64","10.1016/0022-3697(60)90175-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509138","3.345","","3.345","","3.345","","90","","90","","90","","37.427","","283","","","","","","","","","","","1","P m -3 m","-P 4 2 3","221","","Polonium","","- Po -","- Po -","- Po -","1","0.0208333","","William H. Beamer; Charles R. Maxwell","Physical Properties of Polonium. II. X-Ray Studies and Crystal Structure","Journal of Chemical Physics","1949","17","","1293","1298","10.1063/1.1747155","","","","","","","","","","","","","","","","","","","","","has coordinates","201203","2020-10-21","18:00:00",""
"1509197","7.19","","7.39","","10.32","","90","","90","","90","","548.344","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rb Ag Fe.55 Al.45 F6","","- Ag Al0.45 F6 Fe0.55 Rb -","- Ag Al0.45 F6 Fe0.55 Rb -","- Ag4 Al1.8 F24 Fe2.2 Rb4 -","4","0.5","","Mueller, B.G.","Zur Struktur quaternaerer Fluoride mit Zweiwertigem Silber: Me(I) Ag(II) Me(III) F6 mit Me(I) = Rb, Cs und Me(III) = Al Ga Fe","Journal of Fluorine Chemistry","1981","17","","317","329","10.1016/S0022-1139(00)81778-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509203","7.38","","7.241","","10.352","","90","","90","","90","","553.196","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs Ag Al F6","","- Ag Al Cs F6 -","- Ag Al Cs F6 -","- Ag4 Al4 Cs4 F24 -","4","0.5","","Mueller, B.G.","Zur Struktur quaternaerer Fluoride mit zweiwertigem Silber: Me(I) Ag(II) Me(III) F6 mit Me(I) = Rb, Cs und Me(III) = Al, Ga, Fe","Journal of Fluorine Chemistry","1981","17","","317","329","10.1016/S0022-1139(00)81778-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509276","7.338","","7.564","","10.554","","90","","90","","90","","585.796","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs Ag (Fe F6)","","- Ag Cs F6 Fe -","- Ag Cs F6 Fe -","- Ag4 Cs4 F24 Fe4 -","4","0.5","","Mueller, B.G.","Zur Struktur quaternaerer Fluoride mit zweiwertigem Silber: Me(I) Ag(II) Me(III) F6 mit Me(I) = Rb, Cs und Me(III) = Al, Ga, Fe","Journal of Fluorine Chemistry","1981","17","","317","329","10.1016/S0022-1139(00)81778-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509294","3.12","","4.05","","6.875","","90","","90","","90","","86.872","","","","","","","","","","","","","3","P m m 2","P 2 -2","25","","","","- Ag Cu Te2 -","- Ag Cu Te2 -","- Ag Cu Te2 -","1","0.25","","Baranova, R.V.; Avilov, A.S.","Synthesis of the mixed telluride Cu Ag Te2 and the electron-diffraction determination of its structure","Soviet Physics, Crystallography (= Kristallografiya)","1972","17","","180","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509455","3.23","","3.23","","3.23","","90","","90","","90","","33.698","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Mg -","- Ag Mg -","- Ag Mg -","1","0.0208333","","Williams, B.E.","The aluminium-rich corner of the Al-Mg-Ag phase diagram","Journal of the Australian Institute of Metals","1972","17","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509589","2.88","","2.88","","4.58","","90","","90","","120","","32.899","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ag2 Al)0.66","","- Ag1.334 Al0.666 -","- Ag1.334 Al0.666 -","- Ag1.334 Al0.666 -","1","0.0416667","","Williams, B.E.","The aluminium-rich corner of the Al-Mg-Ag phase diagram","Journal of the Australian Institute of Metals","1972","17","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509732","13.299","","4.07","","20.209","","90","","103.32","","90","","1064.43","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Cu.5 Pb.4 Ag2.3 Bi6.8 S12","","- Ag2.3 Bi6.8 Cu0.5 Pb0.4 S12 -","- Ag2.3 Bi6.8 Cu0.5 Pb0.4 S12 -","- Ag4.6 Bi13.6 Cu Pb0.8 S24 -","2","0.25","","Mumme, W.G.; Makovicky, E.","The crystal structure of benjaminite Cu.5 Pb.4 Ag2.3 Bi6.8 S12","Canadian Mineralogist","1979","17","","607","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510042","4.6","","4.76","","15.45","","90","","90","","90","","338.293","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Ag3 Tl Te2","","- Ag3 Te2 Tl -","- Ag3 Te2 Tl -","- Ag6 Te4 Tl2 -","2","0.25","","Imamov, R.M.; Avilov, A.S.; Pinsker, Z.G.","Crystal structure of Ag3 Tl Te2","Kristallografiya","1972","17","","281","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510238","6.374","","6.374","","6.374","","90","","90","","90","","258.962","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au Mn Sb -","- Au Mn Sb -","- Au4 Mn4 Sb4 -","4","0.0416667","","Watanabe, K.; Masumoto, H.","Magnetic properties of C1b-type pseudo-ternary intermetallic compounds Pt1-x Aux Mn Sb","Transactions of the Japan Institute of Metals","1976","17","","588","591","10.2320/matertrans1960.17.588","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510241","6.3","","6.3","","6.3","","90","","90","","90","","250.047","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Au Pt) Mn2 Sb2","","- Au Mn2 Pt Sb2 -","- Au Mn2 Pt Sb2 -","- Au2 Mn4 Pt2 Sb4 -","2","0.0208333","","Masumoto, H.; Watanabe, K.","Magnetic properties of C1b-type pseudo-ternary intermetallic compounds Pt1-x Aux Mn Sb","Transactions of the Japan Institute of Metals","1976","17","","588","591","10.2320/matertrans1960.17.588","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510519","5.586","","5.586","","33.4","","90","","90","","90","","1042.19","","","","","","","","","","","","","2","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- Au3 Zn -","- Au3 Zn -","- Au48 Zn16 -","16","0.5","","Iwasaki, H.","Study on the ordered phases with long period in the gold-zinc alloy system. II. Structure analysis of Au3 Zn (R1), Au3 Zn (R2) and Au3+Zn","Journal of the Physical Society of Japan","1962","17","","1620","1633","10.1143/JPSJ.17.1620","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510520","16.65","","5.585","","5.594","","90","","90","","90","","520.187","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Au3 Zn -","- Au3 Zn -","- Au24 Zn8 -","8","","","Iwasaki, H.","Study on the ordered phases with long period in the gold-zinc system. II.Structure analysis of Au3 Zn and Au3+ Zn","Journal of the Physical Society of Japan","1962","17","","1620","1633","10.1143/JPSJ.17.1620","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510573","6.345","","8.971","","4.486","","90","","90","","90","","255.348","","","","","","","","","","","","","2","P m c 21","P 2c -2","26","","","","- Au5 Zn3 -","- Au5 Zn3 -","- Au10 Zn6 -","2","0.5","","Iwasaki, H.","The crystal structure and the phase transition of a metastable phase in the Au.662 Zn.378 alloy","Journal of the Physical Society of Japan","1962","17","","1620","1633","10.1143/JPSJ.17.1620","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510804","4.684","","2.872","","4.076","","90","","90","","90","","54.832","","","","","","","","","","","","","2","P m m n :1","P 2 2ab -1ab","59","","Os B2","","- B2 Os -","- B2 Os -","- B4 Os2 -","2","0.25","","Aronsson, B.","The crystal structure of Ru B2, Os B2 and Ir B1.35 and some general comments on the crystal chemistry of borides in the composition-range Me B - Me B3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1963","17","","2036","2050","10.3891/acta.chem.scand.17-2036","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511131","4.626","","4.626","","14.493","","90","","90","","120","","268.596","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Fe B O3","","- B Fe O3 -","- B Fe O3 -","- B6 Fe6 O18 -","6","0.166667","","Diehl, R.","Crystal structure refinement of ferric borate, Fe B O3","Solid State Communications","1975","17","","743","745","10.1016/0038-1098(75)90399-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511168","9.63","","6.959","","22.792","","90","","90","","90","","1527.41","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Gd3 (B Si O6) (Si O4)","","- B Gd3 O10 Si2 -","- B Gd3 O10 Si2 -","- B8 Gd24 O80 Si16 -","8","1","","Chen, H.-Y.; Zhuang, H.-H.; Huang Jinshun; Lin, X.; Chi Lisheng","Synthesis and crystal structure of Gd3 (B Si O6) (Si O4)","Jiegon Huaxue","1998","17","","297","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511528","6.532","","7.733","","18.566","","90","","90","","90","","937.805","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bi3 O (B5 O11)","","- B5 Bi3 O12 -","- B5 Bi3 O12 -","- B20 Bi12 O48 -","4","0.5","","Cano, F.H.; Garcia-Blanco, S.; Vegas, A.","Crystal structure of (Bi2 O3)3 (B2 O3)5. A new type of polyborate-anion (B5 O11)(-","Journal of Solid State Chemistry","1976","17","","151","155","10.1016/0022-4596(76)90215-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511535","8.65","","7.61","","9.48","","90","","92.5","","90","","623.441","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Nd Co B5 O10","","- B5 Co Nd O10 -","- B5 Co Nd O10 -","- B20 Co4 Nd4 O40 -","4","1","","Abdullaev, G.K.","Crystal Structure of a New Neodymium Cobalt Metaborate Nd Co (B O2)5","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","1128","1131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511574","6.56","","8.318","","3.102","","90","","90","","90","","169.264","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Ce Cr2 B6","","- B6 Ce Cr2 -","- B6 Ce Cr2 -","- B12 Ce2 Cr4 -","2","0.125","","Kuz'ma, Yu.B.; Svarichevskaya, S.I.","Crystal structure of Ce Cr2 B6","Kristallografiya","1972","17","","939","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511641","9.175","","11.55","","3.673","","90","","90","","90","","389.232","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Y2 Re B6","","- B6 Re Y2 -","- B6 Re Y2 -","- B24 Re4 Y8 -","4","0.5","","Kuz'ma, Yu.B.; Svarichevskaya, S.I.","Crystal structure of Y2 Re B6 and its analogs","Kristallografiya","1972","17","","658","661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511646","8.339","","16.53","","10.212","","90","","106.64","","90","","1348.71","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ba2 (B F4)4","","- B4 Ba2 F16 -","- B4 Ba2 F16 -","- B16 Ba8 F64 -","4","1","","Huang, J.-S.; Lin, Q.-W.; Cheng, W.-D.; Chen, J.-T.","Structure of barium tetrafluoroborate Ba2 (B F4)4","Jiegon Huaxue","1998","17","","245","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511731","7.0705","","7.0705","","4","","90","","90","","90","","199.968","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Er B4","","- B4 Er -","- B4 Er -","- B16 Er4 -","4","0.25","","Georges, R.; Schaefer, W.; Pfeiffer, F.; Will, G.; Etourneau, J.","Single crystal neutron diffraction investigation of Er B4","Revue de Chimie Minerale","1980","17","","533","539","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511734","8.57","","15.8","","7.22","","90","","90","","90","","977.631","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Er2 Sr3 (B O3)4","","- B4 Er2 O12 Sr3 -","- B4 Er2 O12 Sr3 -","- B16 Er8 O48 Sr12 -","4","1","","Mamedov, C.; Abdullaev, G.K.","Kristallicheskaya struktura dboinogo ortoborata erbyia istrontsiya Er2 Sr3 (B O3)4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","188","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511774","4.984","0.001","8.325","0.002","9.227","0.002","74.15","0.02","89.54","0.01","76.44","0.02","357.38","0.14","","","298","","","","","","","","","5","P -1","-P 1","2","","Diaqua-bis(4,5,6,7-tetrahydro-5,7-dioxo(1,2,4)triazolo(1,5-a)pyridimine) -manganese","","- C10 H10 Mn N8 O6 -","- C10 H10 Mn N8 O6 -","- C10 H10 Mn N8 O6 -","1","0.5","","Sonia Orihuela; M. Purificación Sánchez; Miguel Quirós; Daniel Martín; René Faure","First Tansition Row Metal Complexes with 4,5,6,7-Tetrahydro-5,7-dioxo-[1,2,4]triazolo-[1,5-a]pyrimidine","Polyhedron","1998","17","","2477","2481","10.1016/S0277-5387(98)00044-8","","","0.71073","MoKα","","","0.037","","","","0.067","","","","","","1.32","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513253","14.6049","0.0012","14.6049","0.0012","7.5464","0.0012","90","","90","","90","","1609.7","0.3","90","2","90","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","tetrakis((μ~3~-iodo)-piperidine copper(I))","","- C20 H44 Cu4 I4 N4 -","- C20 H44 Cu4 I4 N4 -","- C40 H88 Cu8 I8 N8 -","2","0.25","","Kamiński, Radosław; Graber, Timothy; Benedict, Jason B.; Henning, Robert; Chen, Yu-Sheng; Scheins, Stephan; Messerschmidt, Marc; Coppens, Philip","Optimizing the accuracy and precision of the single-pulse Laue technique for synchrotron photo-crystallography","Journal of Synchrotron Radiation","2010","17","4","479","485","10.1107/S0909049510019710","","x-ray","0.71073","MoKα","","0.031","0.0239","","","0.0549","0.0602","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514105","4.444","0.001","4.444","","4.444","","90","","90","","90","","87.77","0.02","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Manganese Oxide","Manganosite","- Mn O -","- Mn O -","- Mn4 O4 -","4","0.0208333","","Kuriyama, M.; Hosoya, S.","X-ray measurement of scattering factors of manganese and oxygen in manganous oxide","Journal of the Physical Society of Japan","1962","17","","1022","1029","10.1143/JPSJ.17.1022","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1518403","8.2167","0.0008","16.3939","0.0017","25.795","0.003","90","","86.989","0.009","90","","3469.9","0.6","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O -","- C25 H17 N O -","- C200 H136 N8 O8 -","8","4","","Wang, Zhen; Li, Ting","Facile Synthesis of 6-Acylated Pyrido[2,1-a]isoindoles from 2-Arylpyridines and γ-Substituted tert-Propargyl Alcohols via Rhodium-Catalyzed C-H Bond Activation and β-Carbon Elimination.","Organic letters","2015","17","5","1348","","10.1021/ol503157k","","","0.71073","MoKα","","0.2551","0.1039","","","0.1608","0.2302","","","","","","0.923","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518421","10.543","0.002","9.344","0.002","22.465","0.005","90","","92.128","0.003","90","","2211.6","0.8","296","2","296","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","","Xu, Hua-Dong; Jia, Zhi-Hong; Xu, Ke; Zhou, Hao; Shen, Mei-Hua","One-Pot Protocol to Functionalized Benzopyrrolizidine Catalyzed Successively by Rh2(OAc)4 and Cu(OTf)2: A Transition Metal-Lewis Acid Catalysis Relay.","Organic letters","2015","17","1","66","69","10.1021/ol503247t","","","0.71073","MoKα","","0.1189","0.1127","","","0.2855","0.288","","","","","","1.126","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518422","26.688","0.006","18.145","0.005","9.062","0.002","90","","90","","90","","4388.3","1.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(9a-allyl-6,8-dimethoxy-2,3,9,9a-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl)-4-methylbenzenesulfonamide","","- C23 H28 N2 O4 S -","- C23 H28 N2 O4 S -","- C184 H224 N16 O32 S8 -","8","2","","Xu, Hua-Dong; Jia, Zhi-Hong; Xu, Ke; Zhou, Hao; Shen, Mei-Hua","One-Pot Protocol to Functionalized Benzopyrrolizidine Catalyzed Successively by Rh2(OAc)4 and Cu(OTf)2: A Transition Metal-Lewis Acid Catalysis Relay.","Organic letters","2015","17","1","66","69","10.1021/ol503247t","","","0.71073","MoKα","","0.136","0.0785","","","0.1259","0.1555","","","","","","1.187","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518427","16.6085","0.001","7.853","0.0006","20.7239","0.0015","90","","103.721","0.003","90","","2625.8","0.3","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F3 N2 O2 -","- C15 H9 F3 N2 O2 -","- C120 H72 F24 N16 O16 -","8","2","","Kumar, Shailesh; Rathore, Vandana; Verma, Ajay; Prasad, Ch Durga; Kumar, Amit; Yadav, Abhimanyu; Jana, Sadhan; Sattar, Moh; Meenakshi, ?; Kumar, Sangit","KO(t)Bu-Mediated Aerobic Transition-Metal-Free Regioselective β-Arylation of Indoles: Synthesis of β-(2-/4-Nitroaryl)-indoles.","Organic letters","2015","17","1","82","85","10.1021/ol503274z","","x-ray","0.71073","MoKα","","0.1472","0.0989","","","0.278","0.3228","","","","","","1.055","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518428","19.16","0.002","11.3942","0.0014","15.345","0.003","90","","126.612","0.002","90","","2689","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Cl N2 O2 -","- C15 H11 Cl N2 O2 -","- C120 H88 Cl8 N16 O16 -","8","1","","Kumar, Shailesh; Rathore, Vandana; Verma, Ajay; Prasad, Ch Durga; Kumar, Amit; Yadav, Abhimanyu; Jana, Sadhan; Sattar, Moh; Meenakshi, ?; Kumar, Sangit","KO(t)Bu-Mediated Aerobic Transition-Metal-Free Regioselective β-Arylation of Indoles: Synthesis of β-(2-/4-Nitroaryl)-indoles.","Organic letters","2015","17","1","82","85","10.1021/ol503274z","","x-ray","0.71073","MoKα","","0.0743","0.0555","","","0.157","0.1695","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518455","7.788","0.0004","16.0615","0.001","20.7023","0.0012","90","","90","","90","","2589.6","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-butyl 3-((E)-(((S)-2-(methoxymethyl)pyrrolidin-1-yl)imino)methyl) -2-((R)-1-phenylethyl)-1H-indole-1-carboxylate","","- C29 H37 N3 O4 -","- C29 H37 N3 O4 -","- C116 H148 N12 O16 -","4","1","","Lee, Pin-Sheng; Yoshikai, Naohiko","Cobalt-catalyzed enantioselective directed C-h alkylation of indole with styrenes.","Organic letters","2015","17","1","22","25","10.1021/ol503119z","","","0.71073","MoKα","","0.0971","0.059","","","0.1014","0.1162","","","","","","0.971","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518456","19.3925","0.0007","6.0017","0.0001","17.9993","0.0006","90","","107.635","0.004","90","","1996.45","0.11","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C21 H28 O4 S -","- C21 H28 O4 S -","- C84 H112 O16 S4 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of the Enantiomer of 4,12-Dihydroxysterpurene, the Structure Assigned to a Metabolite Isolated from the Culture Broth of Stereum purpureum.","Organic letters","2015","17","1","166","169","10.1021/ol5034817","","","1.5418","CuKα","","0.0443","0.0435","","0.1216","0.1212","0.1216","","","","","","1.0367","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518457","6.2688","0.0001","16.308","0.0001","18.2849","0.0002","90","","90","","90","","1869.29","0.04","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of the Enantiomer of 4,12-Dihydroxysterpurene, the Structure Assigned to a Metabolite Isolated from the Culture Broth of Stereum purpureum.","Organic letters","2015","17","1","166","169","10.1021/ol5034817","","","1.5418","CuKα","","0.0257","0.0252","","0.0656","0.0651","0.0656","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518458","9.0419","0.0001","12.2803","0.0002","19.0748","0.0002","90","","90","","90","","2118.01","0.05","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C96 H100 N4 O20 -","4","1","","Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong","Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.","Organic letters","2015","17","1","150","153","10.1021/ol503383x","","","1.54184","CuKα","","0.0303","0.0298","","","0.0823","0.0829","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518459","9.6257","0.0001","24.6776","0.0002","9.1983","0.0001","90","","108.936","0.001","90","","2066.71","0.04","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong","Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.","Organic letters","2015","17","1","150","153","10.1021/ol503383x","","","1.54184","CuKα","","0.0403","0.0384","","","0.1062","0.1081","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518460","10.1067","0.0002","11.5787","0.0003","19.2079","0.0005","83.811","0.002","82.159","0.002","76.354","0.002","2157.2","0.09","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O4 -","- C25 H25 N O4 -","- C100 H100 N4 O16 -","4","2","","Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong","Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.","Organic letters","2015","17","1","150","153","10.1021/ol503383x","","","1.54184","CuKα","","0.0436","0.0412","","","0.1115","0.114","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518461","21.3083","0.0015","16.6395","0.0006","17.8923","0.0007","90","","118.967","0.004","90","","5550.3","0.5","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H21 Cl2 N O4 -","- C24 H21 Cl2 N O4 -","- C192 H168 Cl16 N8 O32 -","8","2","","Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong","Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.","Organic letters","2015","17","1","150","153","10.1021/ol503383x","","","0.71073","MoKα","","0.0845","0.054","","","0.1342","0.1464","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518462","24.0183","0.0013","11.2598","0.0006","7.4174","0.0004","90","","90","","90","","2005.97","0.19","123","","123","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H21 Br N2 O3 S -","- C21 H21 Br N2 O3 S -","- C84 H84 Br4 N8 O12 S4 -","4","1","","Arai, Noriyoshi; Mizota, Moe; Ohkuma, Takeshi","Stereoselective preparation of spiro[4.4] cyclic compounds by the photochemical activation of oxazoles.","Organic letters","2015","17","1","86","89","10.1021/ol5032848","","","0.71075","MoKα","","","0.0395","","","","0.097","","","","","","1.106","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518463","8.12","0.0006","11.101","0.0008","21.7055","0.0013","90","","94.955","0.003","90","","1949.2","0.2","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Br N2 O3 S -","- C21 H21 Br N2 O3 S -","- C84 H84 Br4 N8 O12 S4 -","4","1","","Arai, Noriyoshi; Mizota, Moe; Ohkuma, Takeshi","Stereoselective preparation of spiro[4.4] cyclic compounds by the photochemical activation of oxazoles.","Organic letters","2015","17","1","86","89","10.1021/ol5032848","","","0.71075","MoKα","","","0.0615","","","","0.1925","","","","","","1.274","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518464","9.1452","0.0001","12.5627","0.0002","16.2841","0.0002","90","","90","","90","","1870.85","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O7 -","- C19 H26 O7 -","- C76 H104 O28 -","4","1","","Xu, Jin-Fang; Zhao, Hui-Jun; Wang, Xiao-Bing; Li, Zhong-Rui; Luo, Jun; Yang, Ming-Hua; Yang, Lei; Yu, Wen-Ying; Yao, He-Quan; Luo, Jian-Guang; Kong, Ling-Yi","(±)-Melicolones A and B, Rearranged Prenylated Acetophenone Stereoisomers with an Unusual 9-Oxatricyclo[3.2.1.1(3,8)]nonane Core from the Leaves of Melicope ptelefolia.","Organic letters","2015","17","1","146","149","10.1021/ol5033738","","","1.54184","CuKα","","0.0315","0.0304","","","0.0855","0.0868","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518465","9.2683","0.0001","9.2683","0.0001","18.5901","0.0003","90","","90","","120","","1382.97","0.03","291","2","291","2","","","","","","","","3","P 32","P 32","145","","","","- C19 H26 O7 -","- C19 H26 O7 -","- C57 H78 O21 -","3","1","","Xu, Jin-Fang; Zhao, Hui-Jun; Wang, Xiao-Bing; Li, Zhong-Rui; Luo, Jun; Yang, Ming-Hua; Yang, Lei; Yu, Wen-Ying; Yao, He-Quan; Luo, Jian-Guang; Kong, Ling-Yi","(±)-Melicolones A and B, Rearranged Prenylated Acetophenone Stereoisomers with an Unusual 9-Oxatricyclo[3.2.1.1(3,8)]nonane Core from the Leaves of Melicope ptelefolia.","Organic letters","2015","17","1","146","149","10.1021/ol5033738","","","1.54184","CuKα","","0.0241","0.024","","","0.0643","0.0644","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518466","43.491","0.004","5.5109","0.0005","18.3225","0.0015","90","","95.331","0.007","90","","4372.4","0.7","100","2","100.09","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24.5 H26.52 O7 -","- C24.5 H26.518 O7 -","- C196 H212.144 O56 -","8","2","","McDonald, Benjamin R.; Nibbs, Antoinette E.; Scheidt, Karl A.","A biomimetic strategy to access the silybins: total synthesis of (-)-isosilybin a.","Organic letters","2015","17","1","98","101","10.1021/ol503303w","","","1.54178","CuKα","","0.1121","0.0768","","","0.2036","0.2394","","","","","","1.053","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518467","7.1391","0.0015","7.5445","0.0014","15.455","0.004","88.709","0.007","83.268","0.005","76.661","0.006","804.4","0.3","103","","103","","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","","Suizu, Hiroshi; Shigeoka, Daisuke; Aoyama, Hiroshi; Yoshimitsu, Takehiko","Total synthesis of clavilactone B: a radical cyclization-fragmentation strategy.","Organic letters","2015","17","1","126","129","10.1021/ol503356m","","x-ray","0.71073","MoKα","","0.0446","0.0412","","","0.1201","0.1255","","","","","","0.687","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518468","16.194","0.003","6.597","0.0012","18.175","0.004","90","","102.603","0.002","90","","1894.9","0.6","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O7 S -","- C19 H24 O7 S -","- C76 H96 O28 S4 -","4","1","","Suizu, Hiroshi; Shigeoka, Daisuke; Aoyama, Hiroshi; Yoshimitsu, Takehiko","Total synthesis of clavilactone B: a radical cyclization-fragmentation strategy.","Organic letters","2015","17","1","126","129","10.1021/ol503356m","","","0.71073","MoKα","","0.0566","0.0488","","","","0.1635","","","","","","0.632","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518482","8.8127","0.001","13.2298","0.0012","32.5","0.003","90","","90","","90","","3789.2","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","20120034","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C192 H160 N16 O8 -","8","1","","Fan, Zhoulong; Song, Shanshan; Li, Wei; Geng, Kaijun; Xu, Youjun; Miao, Ze-Hong; Zhang, Ao","Rh(III)-Catalyzed Redox-Neutral C-H Activation of Pyrazolones: An Economical Approach for the Synthesis of N-Substituted Indoles.","Organic letters","2015","17","2","310","313","10.1021/ol503404p","","","0.71073","MoKα","","0.0945","0.058","","","0.1122","0.1267","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518483","10.0098","0.0005","10.1777","0.0007","12.0505","0.0007","67.347","0.006","70.617","0.005","79.738","0.005","1066.95","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-(2-chloroethyl)-2,2-diphenyl-3-(methylcarbonyloxyethyl)-6-methyl- 1,3-oxazinen-4-one","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C46 H48 Cl2 N2 O8 -","2","1","","Craig, Alexander J.; van der Salm, Louise; Stevens-Cullinane, Lars; Lucas, Nigel T.; Tan, Eng Wui; Hawkins, Bill C.","Expedient Metal-Free Synthesis of 1,3-Oxazinen-4-ones.","Organic letters","2015","17","2","234","237","10.1021/ol503350h","","","1.54184","CuKα","","0.0383","0.0341","","","0.0848","0.089","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518484","9.1948","0.0011","12.5947","0.0014","13.668","0.0016","79.379","0.003","77.83","0.003","78.547","0.003","1499.6","0.3","100","2","100","2","","","","","","","synthesis","5","P 1","P 1","1","Ac-UgF(D)A-(S,S)gTS-UgFU-CONH2","Ac-UgF(D)A-(S,S)gTS-UgFU-CONH2","","- C54 H75 N8 O16 S -","- C54 H75 N8 O16 S -","- C54 H75 N8 O16 S -","1","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Raja, K. Muruga Poopathi; Gopi, Hosahudya N.","Design of Stable β-Hairpin Mimetics through Backbone Disulfide Bonds.","Organic letters","2015","17","2","230","233","10.1021/ol503310r","","","0.71073","MoKα","","0.0586","0.0492","","","0.1307","0.1388","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518485","8.0428","0.0005","19.587","0.0008","12.8121","0.0007","90","","104.921","0.006","90","","1950.29","0.19","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 I N O2 S -","- C22 H16 I N O2 S -","- C88 H64 I4 N4 O8 S4 -","4","1","","Sun, Lang; Zhu, Yuanxun; Wang, Jing; Lu, Ping; Wang, Yanguang","Lewis Acid Catalyzed Cascade Reaction of 3-(2-Benzenesulfonamide)propargylic Alcohols to Spiro[indene-benzosultam]s.","Organic letters","2015","17","2","242","245","10.1021/ol503316e","","","0.71073","MoKα","","0.0459","0.0354","","","0.0753","0.0818","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518486","8.195","0.0005","10.1773","0.0006","11.9407","0.0008","86.942","0.005","83.912","0.005","76.661","0.005","963.13","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H14 I N O2 S -","- C21 H14 I N O2 S -","- C42 H28 I2 N2 O4 S2 -","2","1","","Sun, Lang; Zhu, Yuanxun; Wang, Jing; Lu, Ping; Wang, Yanguang","Lewis Acid Catalyzed Cascade Reaction of 3-(2-Benzenesulfonamide)propargylic Alcohols to Spiro[indene-benzosultam]s.","Organic letters","2015","17","2","242","245","10.1021/ol503316e","","","0.71073","MoKα","","0.042","0.0323","","","0.0707","0.076","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518487","17.142","0.003","9.0363","0.0018","12.653","0.003","90","","90.03","0.03","90","","1960","0.7","113","2","113","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C96 H96 O24 -","4","1","","Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen","Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons.","Organic letters","2015","17","2","218","221","10.1021/ol503285u","","","0.71073","MoKα","","0.0477","0.0318","","","0.0698","0.0802","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518488","14.969","0.008","7.307","0.004","12.761","0.007","90","","90","","90","","1395.8","1.3","113","2","113","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen","Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons.","Organic letters","2015","17","2","218","221","10.1021/ol503285u","","","0.71073","MoKα","","0.0386","0.0342","","","0.0664","0.0684","","","","","","0.999","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518489","8.0572","0.0016","8.3258","0.0017","17.63","0.004","88.79","0.03","84.64","0.03","75.45","0.03","1139.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 Co2 O11 -","- C22 H14 Co2 O11 -","- C44 H28 Co4 O22 -","2","1","","Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen","Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons.","Organic letters","2015","17","2","218","221","10.1021/ol503285u","","","0.71073","MoKα","","0.0819","0.0379","","","0.0723","0.0893","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518490","15.8829","0.0006","19.5684","0.0009","11.5831","0.0005","90","","90","","90","","3600.1","0.3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H34 Co2 F6 N O5 P2 -","- C36 H34 Co2 F6 N O5 P2 -","- C144 H136 Co8 F24 N4 O20 P8 -","4","1","","Orgué, Sílvia; León, Thierry; Riera, Antoni; Verdaguer, Xavier","Asymmetric Intermolecular Cobalt-Catalyzed Pauson-Khand Reaction Using a P-Stereogenic Bis-phosphane.","Organic letters","2015","17","2","250","253","10.1021/ol503329g","","","0.71073","MoKα","","0.0475","0.035","","","0.0861","0.0937","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518491","8.8649","0.0008","20.8055","0.0019","9.1083","0.0008","90","","101.487","0.003","90","","1646.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H37 Co2 N3 O5 P2 Si -","- C29.97 H34.91 Co2 N3 O5 P2 Si -","- C59.94 H69.82 Co4 N6 O10 P4 Si2 -","2","1","","Orgué, Sílvia; León, Thierry; Riera, Antoni; Verdaguer, Xavier","Asymmetric Intermolecular Cobalt-Catalyzed Pauson-Khand Reaction Using a P-Stereogenic Bis-phosphane.","Organic letters","2015","17","2","250","253","10.1021/ol503329g","","","0.71073","MoKα","","0.0234","0.0225","","","0.0584","0.0591","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518492","30.8526","0.0005","11.997","0.0002","18.7562","0.0003","90","","113.744","0.001","90","","6354.75","0.19","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 B Cl3 F4 N2 O2 -","- C32 H22 B Cl3 F4 N2 O2 -","- C256 H176 B8 Cl24 F32 N16 O16 -","8","1","","Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido","N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes.","Organic letters","2015","17","2","254","257","10.1021/ol503338b","","","1.54178","CuKα","","0.0665","0.0491","","","0.1259","0.1329","","","","","","1.119","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518493","8.5347","0.0002","14.9824","0.0004","10.2813","0.0002","90","","96.632","0.0009","90","","1305.88","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TOG579B","","","- C15 H10 Cl N O3 -","- C15 H10 Cl N O3 -","- C60 H40 Cl4 N4 O12 -","4","1","","Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido","N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes.","Organic letters","2015","17","2","254","257","10.1021/ol503338b","","","1.54178","CuKα","","0.0364","0.0316","","","0.0763","0.0793","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518494","12.7796","0.0003","13.8018","0.0004","18.4448","0.0005","90","","90","","90","","3253.32","0.15","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H20 N2 O2 S -","- C18 H20 N2 O2 S -","- C144 H160 N16 O16 S8 -","8","2","","Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido","N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes.","Organic letters","2015","17","2","254","257","10.1021/ol503338b","","","1.54178","CuKα","","0.0317","0.0283","","","0.0711","0.0731","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518495","10.18","0.0012","10.18","0.0012","10.954","0.003","90","","90","","120","","983.1","0.3","173","2","173","2","","","","","","","","4","P 32","P 32","145","","","","- C16 H12 Br N3 -","- C16 H12 Br N3 -","- C48 H36 Br3 N9 -","3","1","","Tang, Hai-Tao; Xiong, Kai; Li, Ren-Hao; Ding, Zong-Cang; Zhan, Zhuang-Ping","Synthesis of 5,6-Dihydropyrazolo[1,5-c]quinazolines through Gold-Catalyzed Chemoselective Bicyclization of N-Propargylic Sulfonylhydrazones.","Organic letters","2015","17","2","326","329","10.1021/ol503437n","","","0.71073","MoKα","","0.0431","0.0413","","","0.1031","0.1042","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518565","12.483","0.0003","12.4917","0.0003","14.6608","0.0004","71.195","0.001","68.259","0.001","69.138","0.001","1935.93","0.09","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","2","","Oka, Junko; Okamoto, Ryuichi; Noguchi, Keiichi; Tanaka, Ken","Asymmetric dearomatization of 1-aminonaphthalene derivatives by gold-catalyzed intramolecular double C-C bond formation.","Organic letters","2015","17","3","676","679","10.1021/ol503698s","","","1.54187","CuKα","","0.0832","0.0561","","","0.1498","0.1852","","","","","","1.058","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518566","13.1285","0.0008","8.9817","0.0005","17.2111","0.001","90","","107.754","0.003","90","","1932.8","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","","Oka, Junko; Okamoto, Ryuichi; Noguchi, Keiichi; Tanaka, Ken","Asymmetric dearomatization of 1-aminonaphthalene derivatives by gold-catalyzed intramolecular double C-C bond formation.","Organic letters","2015","17","3","676","679","10.1021/ol503698s","","","1.54187","CuKα","","0.1013","0.0704","","","0.1967","0.2382","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518567","8.9945","0.0002","12.4644","0.0002","17.7143","0.0003","90","","90","","90","","1985.97","0.06","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br N O3 -","- C24 H22 Br N O3 -","- C96 H88 Br4 N4 O12 -","4","1","","Oka, Junko; Okamoto, Ryuichi; Noguchi, Keiichi; Tanaka, Ken","Asymmetric dearomatization of 1-aminonaphthalene derivatives by gold-catalyzed intramolecular double C-C bond formation.","Organic letters","2015","17","3","676","679","10.1021/ol503698s","","","1.54187","CuKα","","0.027","0.0257","","","0.0686","0.0696","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518568","10.9519","0.0005","18.6953","0.0007","14.864","0.0006","90","","100.907","0.003","90","","2988.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 N5 O8 S -","- C31 H37 N5 O8 S -","- C124 H148 N20 O32 S4 -","4","2","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","1.54178","CuKα","","0.0692","0.0591","","","0.1409","0.1474","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518569","6.6977","0.0007","8.9166","0.001","11.8671","0.0013","97.4234","0.0016","102.013","0.0016","108.163","0.0015","644.13","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C30 H38 N2 O4 -","2","1","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","0.71073","MoKα","","0.0485","0.038","","","0.0969","0.1017","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518570","9.0807","0.0002","9.5935","0.0002","12.844","0.0002","90","","90","","90","","1118.91","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","1.54178","CuKα","","0.0242","0.0241","","","0.0629","0.063","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518571","7.0255","0.0007","8.3274","0.0008","8.5054","0.0008","64.8193","0.0014","75.8585","0.0015","86.3999","0.0015","436.19","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","0.71073","MoKα","","0.0375","0.0335","","","0.0852","0.0879","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518572","16.694","0.0011","9.6688","0.0007","18.2592","0.0013","90","","101.972","0.0011","90","","2883.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","0.71073","MoKα","","0.0437","0.0365","","","0.0925","0.0956","","","","","","1.093","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518573","10.359","0.003","8.616","0.002","22.998","0.005","90","","98.931","0.014","90","","2027.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O4 -","- C25 H20 N2 O4 -","- C100 H80 N8 O16 -","4","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0836","0.0545","","","0.133","0.1563","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518574","8.5149","0.0001","11.4869","0.0002","11.4981","0.0002","90.53","0.001","111.599","0.001","91.352","0.001","1045.17","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0432","0.04","","","0.1093","0.1133","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518575","8.1999","0.0005","23.636","0.0014","10.7112","0.0006","90","","97.847","0.003","90","","2056.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0422","0.0389","","","0.1026","0.1056","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518576","15.0058","0.0002","16.0652","0.0002","9.235","0.0001","90","","90","","90","","2226.29","0.05","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H21 N5 O4 -","- C25 H21 N5 O4 -","- C100 H84 N20 O16 -","4","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0424","0.0393","","","0.1126","0.1165","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518577","13.7112","0.0003","7.9341","0.0002","22.1644","0.0005","90","","101.626","0.001","90","","2361.71","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O4 S -","- C26 H21 N3 O4 S -","- C104 H84 N12 O16 S4 -","4","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0411","0.038","","","0.1046","0.1089","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518578","12.2086","0.0002","8.2983","0.0001","20.1576","0.0004","90","","94.952","0.001","90","","2034.56","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O5 -","- C25 H22 N2 O5 -","- C100 H88 N8 O20 -","4","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0403","0.0358","","","0.1031","0.111","","","","","","0.844","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518579","25.4401","0.0006","25.4401","0.0006","14.9071","0.0004","90","","90","","90","","9647.9","0.4","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C400 H304 N48 O64 -","16","1","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.0738","0.0448","","","0.1433","0.1747","","","","","","0.638","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518580","8.2122","0.0001","14.1107","0.0003","17.9598","0.0003","100.563","0.001","95.565","0.001","90.101","0.001","2035.86","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C100 H76 N12 O16 -","4","2","","Kumar, N. N. Bhuvan; Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxadiazoles Provide Direct Access to Versatile Polyheterocyclic Ketopiperazines Containing a Spiro-oxirane Moiety.","Organic letters","2015","17","3","438","441","10.1021/ol5033909","","","0.71073","MoKα","","0.055","0.0444","","","0.1134","0.1207","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518581","10.68","0.002","10.806","0.002","12.352","0.003","90","","107.01","0.03","90","","1363.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F N O3 -","- C14 H16 F N O3 -","- C56 H64 F4 N4 O12 -","4","2","","Xu, Yan-Shuang; Tang, Yu; Feng, He-Jing; Liu, Ji-Tian; Hsung, Richard P.","A Highly Regio- and Stereoselective Synthesis of α-Fluorinated Imides via Fluorination of Chiral Enamides.","Organic letters","2015","17","3","572","575","10.1021/ol503591d","","","0.71073","MoKα","","0.1563","0.0782","","","0.1602","0.1916","","","","","","0.997","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518582","6.5754","0.0013","10.311","0.002","11.071","0.002","90","","95.19","0.03","90","","747.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F N O3 -","- C17 H14 F N O3 -","- C34 H28 F2 N2 O6 -","2","1","","Xu, Yan-Shuang; Tang, Yu; Feng, He-Jing; Liu, Ji-Tian; Hsung, Richard P.","A Highly Regio- and Stereoselective Synthesis of α-Fluorinated Imides via Fluorination of Chiral Enamides.","Organic letters","2015","17","3","572","575","10.1021/ol503591d","","","0.71073","MoKα","","0.0874","0.0513","","","0.1237","0.1395","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518583","8.0591","0.0004","9.6081","0.0005","15.5767","0.0008","90","","90","","90","","1206.14","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Homs, Anna; Muratore, Michael E.; Echavarren, Antonio M.","Enantioselective Total Synthesis of (-)-Nardoaristolone B via a Gold(I)-Catalyzed Oxidative Cyclization.","Organic letters","2015","17","3","461","463","10.1021/ol503531n","","","0.71073","MoKα","","0.0355","0.0331","","","0.0893","0.0915","","","","","","1.102","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518584","8.4438","0.0002","10.9189","0.0003","32.745","0.002","90","","95.201","0.007","90","","3006.6","0.2","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 Br N O2 P -","- C32 H33 Br N O2 P -","- C128 H132 Br4 N4 O8 P4 -","4","1","","Barrett, Kimberly T.; Miller, Scott J.","Regioselective derivatizations of a tribrominated atropisomeric benzamide scaffold.","Organic letters","2015","17","3","580","583","10.1021/ol503593y","","","1.54187","CuKα","","0.0821","0.0532","","","0.1115","0.1185","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518585","9.848","0.0004","24.3169","0.0011","15.0477","0.001","90","","104.667","0.007","90","","3486.1","0.3","223","","223","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 Au Br Cl3 N O2 P -","- C33 H35 Au Br Cl3 N O2 P -","- C132 H140 Au4 Br4 Cl12 N4 O8 P4 -","4","1","","Barrett, Kimberly T.; Miller, Scott J.","Regioselective derivatizations of a tribrominated atropisomeric benzamide scaffold.","Organic letters","2015","17","3","580","583","10.1021/ol503593y","","","0.71075","MoKα","","0.0754","0.0571","","","0.1116","0.1171","","","","","","1.241","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518586","16.1723","0.0013","24.7158","0.0017","24.1251","0.0018","90","","90.474","0.003","90","","9642.7","1.2","100","1","100","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C60.5 H56 N4 O6 -","- C60.5 H56 N4 O6 -","- C484 H448 N32 O48 -","8","2","","Liu, Lei; Carroll, Patrick J.; Kozlowski, Marisa C.","Vanadium-catalyzed regioselective oxidative coupling of 2-hydroxycarbazoles.","Organic letters","2015","17","3","508","511","10.1021/ol503521b","","","0.71073","MoKα","","0.0863","0.0735","","","0.1673","0.1763","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518613","8.8912","0.0013","16.859","0.003","11.238","0.0011","90","","108.555","0.008","90","","1597","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Bunescu, Ala; Piou, Tiffany; Wang, Qian; Zhu, Jieping","Pd-Catalyzed Dehydrogenative Aryl-Aryl Bond Formation via Double C(sp(2))-H Bond Activation: Efficient Synthesis of [3,4]-Fused Oxindoles.","Organic letters","2015","17","2","334","337","10.1021/ol503442n","","","0.71073","MoKα","","0.0618","0.0459","","","0.1036","0.1152","","","","","","1.116","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518614","8.922","0.0005","16.7585","0.0007","11.2263","0.0006","90","","108.038","0.006","90","","1596.05","0.15","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F N O -","- C22 H16 F N O -","- C88 H64 F4 N4 O4 -","4","1","","Bunescu, Ala; Piou, Tiffany; Wang, Qian; Zhu, Jieping","Pd-Catalyzed Dehydrogenative Aryl-Aryl Bond Formation via Double C(sp(2))-H Bond Activation: Efficient Synthesis of [3,4]-Fused Oxindoles.","Organic letters","2015","17","2","334","337","10.1021/ol503442n","","","1.54178","CuKα","","0.0432","0.0393","","","0.1017","0.1115","","","","","","1.095","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518615","18.2078","0.0017","16.5273","0.0017","14.8317","0.0014","90","","98.447","0.003","90","","4414.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 N4 Ni O2 -","- C52 H50 N4 Ni O2 -","- C208 H200 N16 Ni4 O8 -","4","1","","Gehrold, Andreas C.; Bruhn, Torsten; Schneider, Heidi; Radius, Udo; Bringmann, Gerhard","Chiral and achiral basket-handle porphyrins: short synthesis and stereostructures of these versatile building blocks.","Organic letters","2015","17","2","210","213","10.1021/ol503286s","","","0.71073","MoKα","","0.0795","0.0489","","","0.1191","0.1293","","","","","","1.092","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518616","17.719","0.004","6.475","0.0014","22.501","0.005","90","","100.868","0.003","90","","2535.2","1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C120 H104 N24 -","8","1","","Quan, Xue-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","Correction to p-Toluenesulfonic Acid Mediated 1,3-Dipolar Cycloaddition of Nitroolefins with NaN3 for Synthesis of 4-Aryl-NH-1,2,3-triazoles.","Organic letters","2015","17","2","393","","10.1021/ol503621y","","","0.71073","MoKα","","0.0471","0.0385","","","0.1088","0.1157","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518617","12.9116","0.0006","15.1292","0.0007","18.7417","0.0009","90","","90","","90","","3661","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cl2 N4 O8 S2 -","- C37 H36 Cl2 N4 O8 S2 -","- C148 H144 Cl8 N16 O32 S8 -","4","1","","Liang, Kangjiang; Deng, Xu; Tong, Xiaogang; Li, Dashan; Ding, Ming; Zhou, Ankun; Xia, Chengfeng","Copper-Mediated Dimerization to Access 3a,3a'-Bispyrrolidinoindoline: Diastereoselective Synthesis of (+)-WIN 64821 and (-)-Ditryptophenaline.","Organic letters","2015","17","2","206","209","10.1021/ol5032365","","","0.71073","MoKα","","0.0411","0.0339","","","0.0918","0.0969","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518618","9.8359","0.0019","10.161","0.002","10.307","0.002","76.557","0.012","73.136","0.013","64.754","0.01","884.6","0.3","173.15","","173.15","","","","","","","","","5","P 1","P 1","1","","","","- C20 H17 Br N2 O -","- C20 H17 Br N2 O -","- C40 H34 Br2 N4 O2 -","2","2","","Fu, Niankai; Zhang, Long; Luo, Sanzhong","Chiral Primary Amine Catalyzed Asymmetric Michael Addition of Malononitrile to α-Substituted Vinyl Ketone.","Organic letters","2015","17","2","382","385","10.1021/ol503566a","","","0.71073","MoKα","","0.0349","0.032","","","0.0718","0.0739","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518619","10.5861","0.0003","10.618","0.0003","17.0439","0.0004","90","","90","","90","","1915.79","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Fu, Niankai; Zhang, Long; Luo, Sanzhong","Chiral Primary Amine Catalyzed Asymmetric Michael Addition of Malononitrile to α-Substituted Vinyl Ketone.","Organic letters","2015","17","2","382","385","10.1021/ol503566a","","","1.54178","CuKα","","0.0295","0.029","","","0.0751","0.0757","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518620","9.559","0.0013","9.3155","0.0013","15.051","0.002","90","","102.64","0.002","90","","1307.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B F2 N3 -","- C16 H10 B F2 N3 -","- C64 H40 B4 F8 N12 -","4","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.0456","0.0382","","","0.1001","0.1079","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518621","7.7337","0.0007","19.0699","0.0017","9.655","0.0008","90","","105.059","0.001","90","","1375","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 B Cl F2 N3 -","- C16 H9 B Cl F2 N3 -","- C64 H36 B4 Cl4 F8 N12 -","4","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.0455","0.037","","","0.1006","0.106","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518622","7.9215","0.0009","14.0077","0.0015","25.071","0.003","90","","102.609","0.003","90","","2714.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 B F2 N3 S -","- C15 H10 B F2 N3 S -","- C120 H80 B8 F16 N24 S8 -","8","2","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.0845","0.0505","","","0.1314","0.1497","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518623","10.092","0.004","10.383","0.004","10.434","0.004","65.025","0.004","82.642","0.004","75.499","0.004","959.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 B F2 N3 S -","- C22 H18 B F2 N3 S -","- C44 H36 B2 F4 N6 S2 -","2","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.1237","0.1159","","","0.418","0.4223","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518624","7.4838","0.0008","9.1552","0.001","11.5629","0.0012","79.781","0.001","71.778","0.001","67.825","0.001","695.26","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 B F2 N3 -","- C18 H10 B F2 N3 -","- C36 H20 B2 F4 N6 -","2","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.0506","0.0423","","","0.119","0.1289","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518625","9.1788","0.0011","9.5551","0.0011","9.9844","0.0012","87.602","0.002","71.441","0.002","65.179","0.001","749.15","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H9 B Br F2 N3 -","- C18 H9 B Br F2 N3 -","- C36 H18 B2 Br2 F4 N6 -","2","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.0507","0.0368","","","0.1003","0.1068","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518626","11.3331","0.0009","34.017","0.003","12.736","0.001","90","","109.159","0.001","90","","4638","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 B Br F2 N3 S -","- C24 H17 B Br F2 N3 S -","- C192 H136 B8 Br8 F16 N24 S8 -","8","1","","Cheng, Chi; Gao, Naixun; Yu, Changjiang; Wang, Zhaoyun; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Tian, Yanli; Ran, Chongzhao; Jiao, Lijuan","Diversity-Oriented Facile Access to Highly Fluorescent Membrane-Permeable Benz[c,d]indole N-Heteroarene BF2 Dyes.","Organic letters","2015","17","2","278","281","10.1021/ol503379c","","","0.71073","MoKα","","0.1374","0.073","","","0.208","0.2366","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518627","15.6314","0.0015","21.884","0.002","11.7948","0.0012","90","","108.565","0.002","90","","3824.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C168 H160 Cl8 N8 O24 -","8","2","","Li, Lei; Zhao, Yu-Long; Wang, Qian; Lin, Tao; Liu, Qun","Base-Promoted Oxidative C-H Functionalization of α-Amino Carbonyl Compounds under Mild Metal-Free Conditions: Using Molecular Oxygen as the Oxidant.","Organic letters","2015","17","2","370","373","10.1021/ol503495h","","","0.71073","MoKα","","0.0722","0.0448","","","0.1044","0.1182","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518633","9.5489","0.0005","9.6991","0.0005","19.1473","0.001","90","","97.465","0.002","90","","1758.31","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Li, Ziyuan; Huang, Xiaoqiang; Chen, Feng; Zhang, Chun; Wang, Xiaoyang; Jiao, Ning","Cu-Catalyzed Concise Synthesis of Pyridines and 2-(1H)-Pyridones from Acetaldehydes and Simple Nitrogen Donors.","Organic letters","2015","17","3","584","587","10.1021/ol5035996","","","0.71073","MoKα","","0.0433","0.0333","","","0.0784","0.0854","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518634","6.3906","0.0003","7.7434","0.0003","38.9797","0.0017","90","","90","","90","","1928.91","0.14","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B F3 K N O -","- C20 H22 B F3 K N O -","- C80 H88 B4 F12 K4 N4 O4 -","4","1","","Hoang, Gia L.; Yang, Zhao-Di; Smith, Sean M.; Pal, Rhitankar; Miska, Judy L.; Pérez, Damaris E; Pelter, Libbie S. W.; Zeng, Xiao Cheng; Takacs, James M.","Enantioselective Desymmetrization via Carbonyl-Directed Catalytic Asymmetric Hydroboration and Suzuki-Miyaura Cross-Coupling.","Organic letters","2015","17","4","940","943","10.1021/ol503764d","","","1.54178","CuKα","","0.0252","0.024","","","0.0592","0.0596","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518635","8.447","0.0004","16.3195","0.0008","17.2927","0.0008","90","","90","","90","","2383.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 B F4 N2 O2 -","- C26 H29 B F4 N2 O2 -","- C104 H116 B4 F16 N8 O8 -","4","1","","Hoang, Gia L.; Yang, Zhao-Di; Smith, Sean M.; Pal, Rhitankar; Miska, Judy L.; Pérez, Damaris E; Pelter, Libbie S. W.; Zeng, Xiao Cheng; Takacs, James M.","Enantioselective Desymmetrization via Carbonyl-Directed Catalytic Asymmetric Hydroboration and Suzuki-Miyaura Cross-Coupling.","Organic letters","2015","17","4","940","943","10.1021/ol503764d","","","1.54178","CuKα","","0.0412","0.041","","","0.1083","0.1085","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518636","16.559","0.003","16.774","0.003","15.989","0.003","90","","115.658","0.008","90","","4003.2","1.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B3 N3 O7 -","- C46 H44 B3 N3 O7 -","- C184 H176 B12 N12 O28 -","4","1","","Li, Gang; Xiong, Wei-Wei; Gu, Pei-Yang; Cao, Jun; Zhu, Jia; Ganguly, Rakesh; Li, Yongxin; Grimsdale, Andrew C.; Zhang, Qichun","1,5,9-Triaza-2,6,10-triphenylboracoronene: BN-Embedded Analogue of Coronene.","Organic letters","2015","17","3","560","563","10.1021/ol503575t","","","0.71073","MoKα","","0.2341","0.0956","","","0.2482","0.3405","","","","","","0.996","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518637","19.9798","0.0003","19.9798","0.0003","12.6217","0.0003","90","","90","","120","","4363.46","0.14","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H24 B3 N3 O12 -","- C27 H24 B3 N3 O12 -","- C162 H144 B18 N18 O72 -","6","0.333333","","Li, Gang; Xiong, Wei-Wei; Gu, Pei-Yang; Cao, Jun; Zhu, Jia; Ganguly, Rakesh; Li, Yongxin; Grimsdale, Andrew C.; Zhang, Qichun","1,5,9-Triaza-2,6,10-triphenylboracoronene: BN-Embedded Analogue of Coronene.","Organic letters","2015","17","3","560","563","10.1021/ol503575t","","","1.54178","CuKα","","0.0742","0.0663","","","0.2386","0.2557","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518638","13.0661","0.0011","12.1247","0.0009","22.3242","0.0017","90","","98.251","0.006","90","","3500","0.5","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 B3 Cl3 N3 O7 -","- C37 H33 B3 Cl3 N3 O7 -","- C148 H132 B12 Cl12 N12 O28 -","4","1","","Li, Gang; Xiong, Wei-Wei; Gu, Pei-Yang; Cao, Jun; Zhu, Jia; Ganguly, Rakesh; Li, Yongxin; Grimsdale, Andrew C.; Zhang, Qichun","1,5,9-Triaza-2,6,10-triphenylboracoronene: BN-Embedded Analogue of Coronene.","Organic letters","2015","17","3","560","563","10.1021/ol503575t","","","0.71073","MoKα","","0.3037","0.1742","","","0.3497","0.4257","","","","","","1.124","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518639","13.3949","0.001","14.3478","0.0012","15.283","0.0012","90","","92.281","0.003","90","","2934.9","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 B N O4 Si -","- C33 H40 B N O4 Si -","- C132 H160 B4 N4 O16 Si4 -","4","1","","Kubota, Koji; Iwamoto, Hiroaki; Yamamoto, Eiji; Ito, Hajime","Silicon-tethered strategy for copper(i)-catalyzed stereo- and regioselective alkylboration of alkynes.","Organic letters","2015","17","3","620","623","10.1021/ol503620n","","","0.71075","MoKα","","","0.097","","","","0.3491","","","","","","1.16","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518640","9.272","0.005","15.087","0.008","26.669","0.014","75.828","0.011","88.836","0.013","88.885","0.012","3616","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O5 -","- C20 H22.25 N2 O5 -","- C160 H178 N16 O40 -","8","4","","Zhong, Xue; Li, You; Zhang, Jing; Han, Fu-She","Synthetic Study toward the Misassigned (±)-Tronoharine.","Organic letters","2015","17","3","720","723","10.1021/ol503734x","","","0.71073","MoKα","","0.3073","0.074","","","0.0831","0.1209","","","","","","0.781","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518641","8.2569","0.0007","11.5402","0.001","15.727","0.0014","90","","102.251","0.001","90","","1464.4","0.2","185","2","185","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Zhong, Xue; Li, You; Zhang, Jing; Han, Fu-She","Synthetic Study toward the Misassigned (±)-Tronoharine.","Organic letters","2015","17","3","720","723","10.1021/ol503734x","","","0.71073","MoKα","","0.0507","0.0414","","","0.0915","0.0964","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518642","9.562","0.0005","10.2591","0.0006","10.618","0.0003","87.713","0.004","85.512","0.004","88.206","0.005","1037.16","0.09","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","2","","Kratochvíl, Jiří; Novák, Zdeněk; Ghavre, Mukund; Nováková, Lucie; R°užička, Aleš; Kuneš, Jiří; Pour, Milan","Fully Substituted Pyranones via Quasi-Heterogeneous Genuinely Ligand-Free Migita-Stille Coupling of Iodoacrylates.","Organic letters","2015","17","3","520","523","10.1021/ol5035113","","","0.71073","MoKα","","0.0658","0.0465","","","0.1018","0.1154","","","","","","1.067","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518643","8.964","0.004","12.046","0.004","16.315","0.007","90","","90","","90","","1761.7","1.2","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Manna, Manash Kumar; Hossian, Asik; Jana, Ranjan","Merging C-h activation and alkene difunctionalization at room temperature: a palladium-catalyzed divergent synthesis of indoles and indolines.","Organic letters","2015","17","3","672","675","10.1021/ol5036968","","","0.71073","MoKα","","0.1216","0.0486","","","0.1067","0.1361","","","","","","0.916","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518644","6.345","0.0014","11.725","0.003","13.3","0.003","67.812","0.003","80.532","0.003","84.005","0.003","902.7","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Manna, Manash Kumar; Hossian, Asik; Jana, Ranjan","Merging C-h activation and alkene difunctionalization at room temperature: a palladium-catalyzed divergent synthesis of indoles and indolines.","Organic letters","2015","17","3","672","675","10.1021/ol5036968","","","0.71073","MoKα","","0.0663","0.0468","","","0.1351","0.1589","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518645","12.8948","0.0011","9.7854","0.0008","18.3889","0.0016","90","","94.667","0.006","90","","2312.6","0.3","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N3 O2 -","- C24 H35 N3 O2 -","- C96 H140 N12 O8 -","4","2","","Li, Xun; Taechalertpaisarn, Jaru; Xin, Dongyue; Burgess, Kevin","Protein-Protein Interface Mimicry by an Oxazoline Piperidine-2,4-dione.","Organic letters","2015","17","3","632","635","10.1021/ol5036547","","x-ray","1.54178","CuKα","","0.1065","0.0694","","","0.1565","0.1819","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518646","9.052","0.0001","19.871","0.0003","22.2031","0.0003","90","","90","","90","","3993.72","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 N2 O7 Si2 -","- C34 H57 N2 O7 Si2 -","- C136 H228 N8 O28 Si8 -","4","1","","Gazvoda, Martin; Höferl-Prantz, Kathrin; Barth, Roland; Felzmann, Wolfgang; Pevec, Andrej; Košmrlj, Janez","Completely Stereocontrolled Aldol Reaction of Chiral β-Amino Acids.","Organic letters","2015","17","3","512","515","10.1021/ol503523h","","","1.54184","CuKα","","0.0614","0.0565","","","0.163","0.1692","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518647","18.0919","0.0007","10.7097","0.0004","18.935","0.0007","90","","107.979","0.002","90","","3489.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H44 N2 O7 Si -","- C33 H44 N2 O7 Si -","- C132 H176 N8 O28 Si4 -","4","2","","Gazvoda, Martin; Höferl-Prantz, Kathrin; Barth, Roland; Felzmann, Wolfgang; Pevec, Andrej; Košmrlj, Janez","Completely Stereocontrolled Aldol Reaction of Chiral β-Amino Acids.","Organic letters","2015","17","3","512","515","10.1021/ol503523h","","","0.71073","MoKα","","0.1851","0.0874","","","0.1825","0.2369","","","","","","1.021","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518648","11.0538","0.0002","12.5835","0.0002","15.8359","0.0002","90","","90","","90","","2202.7","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O7 -","- C22 H28 N2 O7 -","- C88 H112 N8 O28 -","4","1","","Gazvoda, Martin; Höferl-Prantz, Kathrin; Barth, Roland; Felzmann, Wolfgang; Pevec, Andrej; Košmrlj, Janez","Completely Stereocontrolled Aldol Reaction of Chiral β-Amino Acids.","Organic letters","2015","17","3","512","515","10.1021/ol503523h","","","1.54184","CuKα","","0.0403","0.0378","","","0.1068","0.1102","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518649","8.9854","0.0003","18.5028","0.0005","9.4678","0.0003","90","","109.249","0.002","90","","1486.07","0.08","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Ramella, Vincenzo; He, Zhiheng; Daniliuc, Constantin G.; Studer, Armido","Palladium-catalyzed diastereoselective oxyarylation of 2-alkylindoles.","Organic letters","2015","17","3","664","667","10.1021/ol503689r","","","1.54178","CuKα","","0.041","0.0398","","","0.1035","0.1048","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518650","8.5929","0.0002","9.9207","0.0003","13.6227","0.0006","73.585","0.001","78.745","0.001","86.593","0.001","1092.53","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Cl N O4 -","- C25 H22 Cl N O4 -","- C50 H44 Cl2 N2 O8 -","2","1","","Ramella, Vincenzo; He, Zhiheng; Daniliuc, Constantin G.; Studer, Armido","Palladium-catalyzed diastereoselective oxyarylation of 2-alkylindoles.","Organic letters","2015","17","3","664","667","10.1021/ol503689r","","","0.71073","MoKα","","0.0834","0.0635","","","0.1189","0.1326","","","","","","1.079","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518651","7.6192","0.0007","12.0803","0.0011","14.0233","0.0012","90","","102.158","0.001","90","","1261.8","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H27 N3 O2 -","- C31 H27 N3 O2 -","- C62 H54 N6 O4 -","2","1","","Pertejo, Pablo; Corres, Nazaret; Torroba, Tomás; García-Valverde, María","Reversal of Diastereoselectivity in the Synthesis of Peptidomimetic 3-Carboxamide-1,4-benzodiazepin-5-ones.","Organic letters","2015","17","3","612","615","10.1021/ol503628r","","","0.71073","MoKα","","0.0392","0.0381","","","0.1007","0.102","","","","","","1.065","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518652","11.3323","0.0004","8.5548","0.0003","14.1288","0.0005","90","","92.453","0.001","90","","1368.47","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O7 -","- C30 H38 N2 O7 -","- C60 H76 N4 O14 -","2","1","","Chen, Chunmei; Zhu, Hucheng; Li, Xiao-Nian; Yang, Jing; Wang, Jianping; Li, Gentao; Li, Yan; Tong, Qingyi; Yao, Guangmin; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Armochaeglobines A and B, Two New Indole-Based Alkaloids from the Arthropod-Derived Fungus Chaetomium globosum.","Organic letters","2015","17","3","644","647","10.1021/ol503666b","","","1.54178","CuKα","","0.056","0.0552","","","0.1521","0.1529","","","","","","1.143","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518653","13.4499","0.0006","7.46","0.0004","14.9726","0.0007","90","","104.948","0.002","90","","1451.46","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H40 N2 O7 -","- C32 H36 N2 O7 -","- C64 H72 N4 O14 -","2","1","","Chen, Chunmei; Zhu, Hucheng; Li, Xiao-Nian; Yang, Jing; Wang, Jianping; Li, Gentao; Li, Yan; Tong, Qingyi; Yao, Guangmin; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Armochaeglobines A and B, Two New Indole-Based Alkaloids from the Arthropod-Derived Fungus Chaetomium globosum.","Organic letters","2015","17","3","644","647","10.1021/ol503666b","","","1.54178","CuKα","","0.1064","0.0907","","","0.2211","0.2412","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518654","13.4566","0.0003","8.18811","0.00015","19.1862","0.0004","90","","100.629","0.0007","90","","2077.74","0.07","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H59 F3 O10 -","- C42 H59 F3 O10 -","- C84 H118 F6 O20 -","2","1","","Inahashi, Yuki; Iwatsuki, Masato; Ishiyama, Aki; Matsumoto, Atsuko; Hirose, Tomoyasu; Oshita, Jun; Sunazuka, Toshiaki; Panbangred, Watanalai; Takahashi, Yoko; Kaiser, Marcel; Otoguro, Kazuhiko; O̅mura, Satoshi","Actinoallolides A-E, New Anti-trypanosomal Macrolides, Produced by an Endophytic Actinomycete, Actinoallomurus fulvus MK10-036.","Organic letters","2015","17","4","864","867","10.1021/ol5037216","","","1.54187","CuKα","","","0.0279","","","","0.0702","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518655","11.9124","0.0016","7.5041","0.001","14.67","0.002","90","","111.533","0.005","90","","1219.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","","Pawar, Amit B.; Chang, Sukbok","Cobalt-Catalyzed C-H Cyanation of (Hetero)arenes and 6-Arylpurines with N-Cyanosuccinimide as a New Cyanating Agent.","Organic letters","2015","17","3","660","663","10.1021/ol503680d","","","0.71073","MoKα","","0.117","0.0543","","","0.1187","0.1399","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518656","6.9373","0.0006","8.2261","0.0007","9.7516","0.0008","85.814","0.004","78.171","0.004","89.197","0.004","543.22","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","","Pawar, Amit B.; Chang, Sukbok","Cobalt-Catalyzed C-H Cyanation of (Hetero)arenes and 6-Arylpurines with N-Cyanosuccinimide as a New Cyanating Agent.","Organic letters","2015","17","3","660","663","10.1021/ol503680d","","","0.71073","MoKα","","0.0378","0.0359","","","0.1014","0.1033","","","","","","1.093","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518657","7.9667","0.0003","8.6666","0.0004","9.6847","0.0004","109.198","0.002","107.554","0.002","92.006","0.002","595.36","0.04","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H11 N5 -","- C14 H11 N5 -","- C28 H22 N10 -","2","1","","Pawar, Amit B.; Chang, Sukbok","Cobalt-Catalyzed C-H Cyanation of (Hetero)arenes and 6-Arylpurines with N-Cyanosuccinimide as a New Cyanating Agent.","Organic letters","2015","17","3","660","663","10.1021/ol503680d","","","0.71073","MoKα","","0.1012","0.0557","","","0.1267","0.1462","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518658","8.2102","0.0016","6.2167","0.0012","14.102","0.003","90","","90.69","0.03","90","","719.7","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Lou, Yan-Peng; Zheng, Chang-Wu; Pan, Ren-Ming; Jin, Qiao-Wen; Zhao, Gang; Li, Zhong","Enantioselective Direct Mannich Reactions of Cyclic β-Ketoesters Catalyzed by Chiral Phosphine via a Novel Dual-Reagent Catalysis.","Organic letters","2015","17","3","688","691","10.1021/ol503712m","","","1.54178","CuKα","","0.0374","0.0373","","","0.0975","0.0976","","","","","","1.143","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518659","9.5704","0.0013","11.7332","0.0016","21.056","0.003","90","","97.692","0.003","90","","2343.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br O S2 Se -","- C25 H23 Br O S2 Se -","- C100 H92 Br4 O4 S8 Se4 -","4","1","","Wu, Ping; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun","Brønsted Acid Catalyzed PhSe Transfer versus Radical Aryl Transfer: Linear Codimerization of Styrenes and Internal Olefins.","Organic letters","2015","17","4","868","871","10.1021/ol503731s","","","0.71073","MoKα","","0.0589","0.0349","","","0.0716","0.0799","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518660","10.5963","0.0005","16.7072","0.0009","10.9555","0.0006","90","","95.184","0.005","90","","1931.57","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 F O2 S2 -","- C20 H21 F O2 S2 -","- C80 H84 F4 O8 S8 -","4","1","","Wu, Ping; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun","Brønsted Acid Catalyzed PhSe Transfer versus Radical Aryl Transfer: Linear Codimerization of Styrenes and Internal Olefins.","Organic letters","2015","17","4","868","871","10.1021/ol503731s","","","0.71073","MoKα","","0.0622","0.0422","","","0.1018","0.1156","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518685","18.809","0.01","10.08","0.005","20.725","0.011","90","","90","","90","","3929","4","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C52 H48 N4 O4 -","- C52 H48 N4 O4 -","- C208 H192 N16 O16 -","4","1","","Tominaga, Masahide; Kunitomi, Nobuto; Katagiri, Kosuke; Itoh, Tsutomu","Adamantane-based oxacyclophanes containing pyrazines: synthesis, crystal structure, and self-assembly behavior.","Organic letters","2015","17","4","786","789","10.1021/ol503466e","","","0.71073","MoKα","","0.0366","0.0309","","","0.071","0.0741","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518686","9.8315","0.0017","14.743","0.003","21.249","0.004","101.193","0.002","91.334","0.002","94.028","0.002","3011.8","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H66 Cl6 N4 O12 -","- C62 H66 Cl6 N4 O12 -","- C124 H132 Cl12 N8 O24 -","2","1","","Tominaga, Masahide; Kunitomi, Nobuto; Katagiri, Kosuke; Itoh, Tsutomu","Adamantane-based oxacyclophanes containing pyrazines: synthesis, crystal structure, and self-assembly behavior.","Organic letters","2015","17","4","786","789","10.1021/ol503466e","","","0.71073","MoKα","","0.0592","0.0427","","","0.1042","0.1135","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518687","11.12","0.003","14.029","0.004","20.02","0.006","108.726","0.004","98.537","0.004","94.981","0.004","2894.8","1.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H70 N4 O16 -","- C63 H70 N4 O16 -","- C126 H140 N8 O32 -","2","1","","Tominaga, Masahide; Kunitomi, Nobuto; Katagiri, Kosuke; Itoh, Tsutomu","Adamantane-based oxacyclophanes containing pyrazines: synthesis, crystal structure, and self-assembly behavior.","Organic letters","2015","17","4","786","789","10.1021/ol503466e","","","0.71073","MoKα","","0.1056","0.0618","","","0.1532","0.1783","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518712","6.0078","0.0002","15.1366","0.0005","20.0221","0.0007","90","","90","","90","","1820.76","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","","Parr, Brendan T.; Davies, Huw M. L.","Stereoselective synthesis of highly substituted cyclohexanes by a rhodium-carbene initiated domino sequence.","Organic letters","2015","17","4","794","797","10.1021/ol503508k","","","1.54178","CuKα","","0.0366","0.0358","","","0.0964","0.0974","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518713","6.2097","0.0001","14.9142","0.0002","23.193","0.0003","90","","90","","90","","2147.97","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 F3 O3 -","- C23 H27 F3 O3 -","- C92 H108 F12 O12 -","4","1","","Parr, Brendan T.; Davies, Huw M. L.","Stereoselective synthesis of highly substituted cyclohexanes by a rhodium-carbene initiated domino sequence.","Organic letters","2015","17","4","794","797","10.1021/ol503508k","","","1.54178","CuKα","","0.0416","0.0407","","","0.1058","0.1067","","","","","","1.038","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518718","16.759","0.004","7.4334","0.0018","30.141","0.007","90","","90","","90","","3754.9","1.5","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Organics","Organics","","- C18 H26 O4 Si -","- C18 H26 O4 Si -","- C144 H208 O32 Si8 -","8","1","","Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P.","Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade.","Organic letters","2015","17","4","790","793","10.1021/ol503498n","","","0.71073","MoKα","","0.0479","0.0388","","","0.0719","0.0773","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518719","6.1239","0.0005","16.8945","0.0012","17.8873","0.0013","91.468","0.0009","95.3024","0.001","90.184","0.0011","1842.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Organics","Organics","","- C18 H26 O4 Si -","- C18 H26 O4 Si -","- C72 H104 O16 Si4 -","4","2","","Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P.","Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade.","Organic letters","2015","17","4","790","793","10.1021/ol503498n","","","0.71073","MoKα","","0.0494","0.038","","","0.072","0.0761","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518723","7.0418","0.0005","10.4998","0.0008","17.4226","0.0012","93.591","0.005","96.204","0.005","103.663","0.005","1239.21","0.16","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","14214b","","- C32 H28 O4 Si -","- C32 H28 O4 Si -","- C64 H56 O8 Si2 -","2","1","","Pogula, Vedamayee D.; Wang, Tao; Hoye, Thomas R.","Intramolecular [4 + 2] Trapping of a Hexadehydro-Diels-Alder (HDDA) Benzyne by Tethered Arenes.","Organic letters","2015","17","4","856","859","10.1021/ol5037024","","","1.54178","CuKα","","0.0874","0.0653","","","0.1476","0.158","","","","","","1.118","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518724","14.0146","0.0007","10.5314","0.0005","16.6752","0.0008","90","","100.775","0.003","90","","2417.8","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","14239b","","","- C31 H28 O4 Si -","- C31 H28 O4 Si -","- C124 H112 O16 Si4 -","4","1","","Pogula, Vedamayee D.; Wang, Tao; Hoye, Thomas R.","Intramolecular [4 + 2] Trapping of a Hexadehydro-Diels-Alder (HDDA) Benzyne by Tethered Arenes.","Organic letters","2015","17","4","856","859","10.1021/ol5037024","","","1.54178","CuKα","","0.0649","0.0484","","","0.1154","0.1273","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518725","3.798","0.006","11.416","0.015","31.2","0.04","90","","90.82","0.02","90","","1353","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F N O3 -","- C18 H12 F N O3 -","- C72 H48 F4 N4 O12 -","4","1","","Qian, Jinlong; Yi, Wenbin; Huang, Xin; Miao, Yongbo; Zhang, Junkai; Cai, Chun; Zhang, Wei","One-pot synthesis of 3,5-disubstituted and polysubstituted phenols from acyclic precursors.","Organic letters","2015","17","5","1090","1093","10.1021/ol503615n","","","0.71073","MoKα","","0.1059","0.0868","","","0.1799","0.1937","","","","","","1.163","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518726","7.668","0.003","11.45","0.004","11.497","0.004","97.96","0.006","98.584","0.006","103.944","0.006","952.6","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 F4 O3 -","- C22 H16 F4 O3 -","- C44 H32 F8 O6 -","2","1","","Qian, Jinlong; Yi, Wenbin; Huang, Xin; Miao, Yongbo; Zhang, Junkai; Cai, Chun; Zhang, Wei","One-pot synthesis of 3,5-disubstituted and polysubstituted phenols from acyclic precursors.","Organic letters","2015","17","5","1090","1093","10.1021/ol503615n","","","0.71073","MoKα","","0.0502","0.04","","","0.1015","0.1122","","","","","","1.022","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518747","11.31","0.003","13.792","0.003","13.982","0.003","93.902","0.003","90.56","0.003","112.233","0.003","2012.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C84 H54 Cl6 N24 O12 -","6","3","","Chen, Yunfeng; Nie, Gang; Zhang, Qi; Ma, Shan; Li, Huan; Hu, Qinquan","Copper-Catalyzed [3 + 2] Cycloaddition/Oxidation Reactions between Nitro-olefins and Organic Azides: Highly Regioselective Synthesis of NO2-Substituted 1,2,3-Triazoles.","Organic letters","2015","17","5","1118","1121","10.1021/ol503687w","","","0.71073","MoKα","","0.0828","0.0745","","","0.2121","0.2337","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518748","10.784","0.0017","9.6655","0.0016","28.858","0.005","90","","90","","90","","3007.9","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br N4 O2 -","- C15 H11 Br N4 O2 -","- C120 H88 Br8 N32 O16 -","8","1","","Chen, Yunfeng; Nie, Gang; Zhang, Qi; Ma, Shan; Li, Huan; Hu, Qinquan","Copper-Catalyzed [3 + 2] Cycloaddition/Oxidation Reactions between Nitro-olefins and Organic Azides: Highly Regioselective Synthesis of NO2-Substituted 1,2,3-Triazoles.","Organic letters","2015","17","5","1118","1121","10.1021/ol503687w","","","0.71073","MoKα","","0.0987","0.0498","","","0.1184","0.1363","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518770","11.2813","0.0006","14.1148","0.0007","24.5832","0.0014","90","","90","","90","","3914.5","0.4","180.01","0.1","180.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl4 N2 -","- C20 H16 Cl4 N2 -","- C160 H128 Cl32 N16 -","8","1","","Zhan, Ming; Zhang, Shaoguang; Huang, Zhe; Xi, Zhenfeng","Synthesis of α,α,α',α'-Tetrachloro-Δ(1)-bipyrrolines and 4,8-Dichloro-2,6-diazasemibuvallenes.","Organic letters","2015","17","4","1026","1029","10.1021/acs.orglett.5b00136","","","0.7107","MoKα","","0.0582","0.0361","","","0.0726","0.0821","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518771","9.3474","0.0007","9.8657","0.0007","12.3923","0.0009","66.695","0.007","69.579","0.007","62.115","0.007","908.59","0.13","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 Cl2 N2 -","- C18 H26 Cl2 N2 -","- C36 H52 Cl4 N4 -","2","1","","Zhan, Ming; Zhang, Shaoguang; Huang, Zhe; Xi, Zhenfeng","Synthesis of α,α,α',α'-Tetrachloro-Δ(1)-bipyrrolines and 4,8-Dichloro-2,6-diazasemibuvallenes.","Organic letters","2015","17","4","1026","1029","10.1021/acs.orglett.5b00136","","","0.71073","MoKα","","0.08","0.0548","","","0.1337","0.1527","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518772","9.6557","0.0002","10.7366","0.0003","25.0366","0.0004","90","","90","","90","","2595.53","0.1","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Br Cl3 N O2 -","- C28 H23 Br Cl3 N O2 -","- C112 H92 Br4 Cl12 N4 O8 -","4","1","","Saha, Satyajit; Schneider, Christoph","Directing Group Assisted Nucleophilic Substitution of Propargylic Alcohols via o-Quinone Methide Intermediates: Brønsted Acid Catalyzed, Highly Enantio- and Diastereoselective Synthesis of 7-Alkynyl-12a-acetamido-Substituted Benzoxanthenes.","Organic letters","2015","17","3","648","651","10.1021/ol503662g","","x-ray","0.71073","MoKα","","0.0425","0.034","","","0.0628","0.0662","","","","","","1.024","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518773","7.3516","0.0002","9.5635","0.0002","29.4896","0.0005","90","","90","","90","","2073.33","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Saha, Satyajit; Schneider, Christoph","Directing Group Assisted Nucleophilic Substitution of Propargylic Alcohols via o-Quinone Methide Intermediates: Brønsted Acid Catalyzed, Highly Enantio- and Diastereoselective Synthesis of 7-Alkynyl-12a-acetamido-Substituted Benzoxanthenes.","Organic letters","2015","17","3","648","651","10.1021/ol503662g","","x-ray","0.71073","MoKα","","0.0354","0.0311","","","0.069","0.0711","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518783","14.9264","0.0006","8.5389","0.0003","13.3223","0.0006","90","","96.518","0.004","90","","1687.02","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 -","- C23 H16 N2 -","- C92 H64 N8 -","4","1","","Zhang, Wei; Wei, Jun; Fu, Shaomin; Lin, Dongen; Jiang, Huanfeng; Zeng, Wei","Highly Stereoselective Ruthenium(II)-Catalyzed Direct C2-syn-Alkenylation of Indoles with Alkynes.","Organic letters","2015","17","6","1349","1352","10.1021/ol503618m","","","1.54178","CuKα","","0.0583","0.0425","","","0.1006","0.1126","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518820","9.9575","0.0004","10.7208","0.0005","16.4862","0.0008","91.531","0.002","105.749","0.003","104.208","0.003","1633.82","0.13","103","2","103","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","4","","Yang, Xiao-Fei; Hu, Xu-Hong; Loh, Teck-Peng","Expedient Synthesis of Pyrroloquinolinones by Rh-Catalyzed Annulation of N-Carbamoyl Indolines with Alkynes through a Directed C-H Functionalization/C-N Cleavage Sequence.","Organic letters","2015","17","6","1481","1484","10.1021/acs.orglett.5b00355","","","0.71073","MoKα","","0.0722","0.0518","","","0.1226","0.1427","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518842","5.9536","0.0018","7.269","0.002","31.978","0.011","90","","90","","90","","1383.9","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 F O2 S -","- C15 H13 F O2 S -","- C60 H52 F4 O8 S4 -","4","1","","Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang","Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.","Organic letters","2015","17","7","1692","1695","10.1021/acs.orglett.5b00461","","","0.71073","MoKα","","0.1027","0.0552","","","0.1143","0.1533","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518936","9.8882","0.0006","17.552","0.001","11.4151","0.0008","90","","103.067","0.006","90","","1929.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F N O4 S -","- C18 H24 F N O4 S -","- C72 H96 F4 N4 O16 S4 -","4","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.0742","0.0467","","","0.112","0.1239","","","","","","0.981","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518937","6.7205","0.0008","8.781","0.0011","11.3856","0.0016","103.22","0.012","104.242","0.011","92.033","0.01","630.98","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C26 H30 N2 O8 S2 -","2","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.1355","0.0664","","","0.1302","0.1563","","","","","","0.936","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518938","10.0063","0.0009","10.3287","0.0012","10.8385","0.0012","65.843","0.011","70.701","0.009","84.706","0.008","963.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 N2 O4 S -","- C19 H28 N2 O4 S -","- C38 H56 N4 O8 S2 -","2","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.064","0.0445","","","0.1068","0.1172","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518939","10.8363","0.0017","14.406","0.002","9.9733","0.0018","90","","117.4","","90","","1382.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 S -","- C15 H18 N2 S -","- C60 H72 N8 S4 -","4","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.1243","0.0513","","","0.1139","0.1403","","","","","","0.884","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518940","7.3226","0.0003","10.563","0.0006","18.9019","0.0011","90","","92.929","0.004","90","","1460.13","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.0937","0.0502","","","0.1083","0.1238","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518941","8.4818","0.0005","10.9461","0.0008","30.035","0.002","90","","90","","90","","2788.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C112 H152 N8 O24 S8 -","8","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.1063","0.0524","","","0.1226","0.1421","","","","","","0.968","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518960","9.8293","0.0004","10.383","0.0006","24.9908","0.0013","84.684","0.004","81.333","0.004","71.773","0.004","2392.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid and 4,4'-Bipyridine complex","2-{[3-(Trifluoromethyl)phenyl]amino}benzoic acid and4,4'bipyridine complex","","- C57 H42 F9 N6 O6 -","- C57 H42 F9 N6 O6 -","- C114 H84 F18 N12 O12 -","2","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.1378","0.0692","","","0.1617","0.2055","","","","","","1.009","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518961","7.3086","0.0003","8.6692","0.0004","13.632","0.0005","106.135","0.004","99.428","0.004","98.758","0.004","800.46","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","mefenamic acid and 4,4'-Bipyridine complex","2-(2,3-dimethylphenyl)aminobenzoic acid and 4,4'bipyridine complex","","- C20 H19 N2 O2 -","- C20 H19 N2 O2 -","- C40 H38 N4 O4 -","2","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.0769","0.0485","","","0.1008","0.1137","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518962","4.7081","0.0002","45.2195","0.0014","7.9188","0.0003","90","","106.896","0.005","90","","1613.12","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tolfenamic acid and 4,4'-Bipyridine complex","2-[(3-chloro-2-methylphenyl)amino]benzoic acid and4,4'bipyridine complex","","- C19 H16 Cl N2 O2 -","- C19 H16 Cl N2 O2 -","- C76 H64 Cl4 N8 O8 -","4","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.0758","0.052","","","0.0971","0.1053","","","","","","1.104","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518989","12.7382","0.0007","11.0562","0.0007","12.4976","0.0008","90","","112.701","0.002","90","","1623.76","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl2 N2 -","- C19 H12 Cl2 N2 -","- C76 H48 Cl8 N8 -","4","1","","Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan","Ruthenium-catalyzed heteroatom-directed regioselective C-h arylation of indoles using a removable tether.","Organic letters","2015","17","7","1766","1769","10.1021/acs.orglett.5b00535","","","0.71073","MoKα","","0.0945","0.0472","","","0.1075","0.1293","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518990","14.4427","0.0008","6.5207","0.0004","16.6673","0.0008","90","","90","","90","","1569.67","0.15","291","2","291.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H17 O P Si -","- C17 H17 O P Si -","- C68 H68 O4 P4 Si4 -","4","1","","Xu, Youzhi; Wang, Zhihua; Gan, Zhenjie; Xi, Qiuzhen; Duan, Zheng; Mathey, François","Versatile synthesis of phospholides from open-chain precursors. Application to annelated pyrrole- and silole-phosphole rings.","Organic letters","2015","17","7","1732","1734","10.1021/acs.orglett.5b00598","","","1.54184","CuKα","","0.044","0.0388","","","0.0996","0.1053","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518991","12.402","0.003","5.782","0.0011","24.377","0.005","90","","100.253","0.003","90","","1720.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F O2 S -","- C21 H17 F O2 S -","- C84 H68 F4 O8 S4 -","4","1","","Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang","Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.","Organic letters","2015","17","7","1692","1695","10.1021/acs.orglett.5b00461","","","0.71073","MoKα","","0.0804","0.048","","","0.1125","0.1302","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518992","5.7471","0.0008","8.0541","0.0011","31.351","0.004","90","","90","","90","","1451.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang","Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.","Organic letters","2015","17","7","1692","1695","10.1021/acs.orglett.5b00461","","","0.71073","MoKα","","0.0772","0.0517","","","0.1038","0.1162","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518993","12.3084","0.0018","5.8277","0.0009","24.345","0.004","90","","100.373","0.002","90","","1717.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C84 H72 O8 S4 -","4","1","","Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang","Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.","Organic letters","2015","17","7","1692","1695","10.1021/acs.orglett.5b00461","","","0.71073","MoKα","","0.0562","0.0429","","","0.1155","0.1336","","","","","","1.086","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518994","25.7457","0.001","5.8011","0.0002","19.0494","0.0007","90","","98.23","0.003","90","","2815.79","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C112 H136 N8 O24 S8 -","8","1","","Cheng, Cungui; Liu, Shuiyou; Zhu, Gangguo","Palladium-catalyzed cycloisomerization and aerobic oxidative cycloisomerization of homoallenyl amides: a facile and divergent approach to 2-aminofurans.","Organic letters","2015","17","6","1581","1584","10.1021/acs.orglett.5b00464","","","0.71073","MoKα","","0.0672","0.0538","","","0.1309","0.1393","","","","","","1.075","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518995","16.428","0.006","13.329","0.005","14.387","0.005","90","","90","","90","","3150","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C120 H168 N8 O32 S8 -","8","1","","Zhu, Haitao; Chen, Pinhong; Liu, Guosheng","Palladium-catalyzed intramolecular aminoacetoxylation of unactivated alkenes with hydrogen peroxide as oxidant.","Organic letters","2015","17","6","1485","1488","10.1021/acs.orglett.5b00373","","","0.71073","MoKα","","0.0951","0.0525","","","0.1259","0.1452","","","","","","0.996","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518996","9.8991","0.0011","10.1513","0.0011","17.5003","0.0019","90","","90","","90","","1758.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Yetra, Santhivardhana Reddy; Mondal, Santigopal; Suresh, Eringathodi; Biju, Akkattu T.","Enantioselective Synthesis of Functionalized Pyrazoles by NHC-Catalyzed Reaction of Pyrazolones with α,β-Unsaturated Aldehydes.","Organic letters","2015","17","6","1417","1420","10.1021/acs.orglett.5b00293","","","0.71073","MoKα","","0.0683","0.0612","","","0.1235","0.1261","","","","","","1.21","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518997","14.5121","0.0011","5.9558","0.0003","24.1332","0.0017","90","","90","","90","","2085.9","0.2","173.15","","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C88 H112 O24 -","8","2","","Qin, Yan; Zhang, Long; Lv, Jian; Luo, Sanzhong; Cheng, Jin-Pei","Bioinspired Organocatalytic Aerobic C-H Oxidation of Amines with an ortho-Quinone Catalyst.","Organic letters","2015","17","6","1469","1472","10.1021/acs.orglett.5b00351","","","0.71073","MoKα","","0.0477","0.0439","","","0.1068","0.1097","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518998","8.477","0.0004","8.5847","0.0005","17.547","0.0005","90","","90","","90","","1276.94","0.1","294.39","0.1","294.39","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Jiang, Liyin; Jia, Tao; Wang, Min; Liao, Jian; Cao, Peng","Pd-catalyzed enantioselective hydroalkoxylation of alkoxyallenes with phenol for construction of acyclic o,o-acetals.","Organic letters","2015","17","5","1070","1073","10.1021/acs.orglett.5b00146","","","1.54184","CuKα","","0.0469","0.044","","","0.1064","0.1086","","","","","","1.141","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518999","9.2698","0.0004","11.0134","0.0005","15.0573","0.0007","90","","105.111","0.002","90","","1484.08","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F O3 S -","- C17 H13 F O3 S -","- C68 H52 F4 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Bi(OTf)3-Mediated Cycloisomerization of γ-Alkynyl Arylketones: Application to the Synthesis of Substituted Furans.","Organic letters","2015","17","5","1264","1267","10.1021/acs.orglett.5b00246","","","0.71073","MoKα","","0.0426","0.0345","","","0.1035","0.1286","","","","","","1.245","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519444","13.488","0.002","9.6611","0.0015","9.3604","0.0013","90","","90.183","0.005","90","","1219.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.1147","0.0729","","","0.1936","0.2468","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519445","25.8998","0.0013","5.5463","0.0003","8.3187","0.0004","90","","95.876","0.004","90","","1188.69","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0772","0.0605","","","0.148","0.1587","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519446","10.2114","0.0002","30.3315","0.0007","8.2353","0.0002","90","","110.193","0.001","90","","2393.92","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","2","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0532","0.0398","","","0.1031","0.1117","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519447","6.3542","0.0004","7.6624","0.0006","49.231","0.003","90","","90","","90","","2397","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0566","0.0425","","","0.113","0.1317","","","","","","1.194","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519448","9.736","0.0006","9.8752","0.0006","26.1543","0.0016","92.856","0.004","100.295","0.004","91.291","0.004","2469.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","4","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.1473","0.0559","","","0.1223","0.16","","","","","","0.995","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519449","10.6217","0.0016","14.442","0.002","8.2589","0.0012","90","","109.623","0.005","90","","1193.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isonicotinic acid-(1-phenyl-ethylidenehydrazide)","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0934","0.0532","","","0.1078","0.1241","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519496","6.134","0.003","7.123","0.004","10.777","0.006","102.328","0.008","106.299","0.008","90.659","0.007","440.2","0.4","173.15","","173.15","","","","","","","","","4","P 1","P 1","1","","","","- C22 H20 Br N -","- C22 H20 Br N -","- C22 H20 Br N -","1","1","","Zhang, Zhenhua; Du, Haifeng","Cis-selective and highly enantioselective hydrogenation of 2,3,4-trisubstituted quinolines.","Organic letters","2015","17","11","2816","2819","10.1021/acs.orglett.5b01240","","","0.71073","MoKα","","0.0418","0.0404","","","0.0902","0.0911","","","","","","1.093","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519622","19.306","0.008","4.5687","0.0019","22.128","0.009","90","","103.674","0.008","90","","1896.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N O3 Pd -","- C22 H18 Cl N O3 Pd -","- C88 H72 Cl4 N4 O12 Pd4 -","4","1","","Ren, Zhi; Schulz, Jonathan E.; Dong, Guangbin","Catalytic Ortho-Acetoxylation of Masked Benzyl Alcohols via an Exo-Directing Mode.","Organic letters","2015","17","11","2696","2699","10.1021/acs.orglett.5b01098","","","0.71073","MoKα","","0.1351","0.0771","","","0.1476","0.1706","","","","","","1.017","","","","has coordinates","141409","2020-10-21","18:00:00",""
"1519623","24.877","0.01","7.087","0.003","7.92","0.003","90","","90.593","0.006","90","","1396.2","1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H10 I N O2 -","- C15 H10 I N O2 -","- C60 H40 I4 N4 O8 -","4","1","","Huang, Hai; Zhu, Xiaolin; He, Guangke; Liu, Qi; Fan, Junzhen; Zhu, Hongjun","Controlled Synthesis of 1,3,5-Oxadiazin-2-ones and Oxazolones through Regioselective Iodocyclization of Ynamides.","Organic letters","2015","17","10","2510","2513","10.1021/acs.orglett.5b01045","","","0.71073","MoKα","","0.0822","0.0773","","","0.2091","0.2199","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519625","10.2671","0.0002","10.1236","0.0002","23.3329","0.0006","90","","98.876","0.002","90","","2396.18","0.09","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B N -","- C32 H30 B N -","- C128 H120 B4 N4 -","4","1","","Yang, Deng-Tao; Radtke, Julian; Mellerup, Soren K.; Yuan, Kang; Wang, Xiang; Wagner, Matthias; Wang, Suning","One-Pot Synthesis of Brightly Fluorescent Mes2B-Functionalized Indolizine Derivatives via Cycloaddition Reactions.","Organic letters","2015","17","10","2486","2489","10.1021/acs.orglett.5b00994","","","0.71073","MoKα","","0.1202","0.055","","","0.1212","0.1506","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519626","10.0993","0.0002","10.2609","0.0002","23.8794","0.0005","90","","97.3582","0.0011","90","","2454.19","0.09","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 B N -","- C32 H32 B N -","- C128 H128 B4 N4 -","4","1","","Yang, Deng-Tao; Radtke, Julian; Mellerup, Soren K.; Yuan, Kang; Wang, Xiang; Wagner, Matthias; Wang, Suning","One-Pot Synthesis of Brightly Fluorescent Mes2B-Functionalized Indolizine Derivatives via Cycloaddition Reactions.","Organic letters","2015","17","10","2486","2489","10.1021/acs.orglett.5b00994","","","0.71073","MoKα","","0.1085","0.0783","","","0.1621","0.1772","","","","","","1.154","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519627","8.8087","0.0005","11.1753","0.0006","16.1219","0.0009","72.148","0.004","78.052","0.004","74.662","0.004","1443.04","0.14","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 B N -","- C38 H34 B N -","- C76 H68 B2 N2 -","2","1","","Yang, Deng-Tao; Radtke, Julian; Mellerup, Soren K.; Yuan, Kang; Wang, Xiang; Wagner, Matthias; Wang, Suning","One-Pot Synthesis of Brightly Fluorescent Mes2B-Functionalized Indolizine Derivatives via Cycloaddition Reactions.","Organic letters","2015","17","10","2486","2489","10.1021/acs.orglett.5b00994","","","0.71073","MoKα","","0.1254","0.0575","","","0.1344","0.1636","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519628","30.624","0.013","56.38","0.02","22.177","0.009","90","","93.399","0.011","90","","38223","3","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H70 B4 O20 -","- C102 H70 B4 O20 -","- C816 H560 B32 O160 -","8","1","","Danjo, Hiroshi; Kidena, Yuki; Kawahata, Masatoshi; Sato, Hiroyasu; Katagiri, Kosuke; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Multilayered inclusion nanocycles of anionic spiroborates.","Organic letters","2015","17","10","2466","2469","10.1021/acs.orglett.5b00974","","","0.7107","MoKα","","0.3251","0.1864","","","0.4594","0.5366","","","","","","1.108","","","","has coordinates","140264","2020-10-21","18:00:00",""
"1519629","7.3915","0.0012","13.779","0.002","19.135","0.003","90","","93.863","0.003","90","","1944.4","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N2 O2 S -","- C21 H26 N2 O2 S -","- C84 H104 N8 O8 S4 -","4","1","","Kumar, Yalla Kiran; Kumar, Gadi Ranjith; Reddy, Thota Jagadeshwar; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Synthesis of 3-Sulfonylamino Quinolines from 1-(2-Aminophenyl) Propargyl Alcohols through a Ag(I)-Catalyzed Hydroamination, (2 + 3) Cycloaddition, and an Unusual Strain-Driven Ring Expansion.","Organic letters","2015","17","9","2226","2229","10.1021/acs.orglett.5b00832","","","0.71073","MoKα","","0.0769","0.0695","","","0.1907","0.1983","","","","","","0.962","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519630","11.225","0.0018","13.361","0.002","11.0143","0.0018","90","","118.102","0.002","90","","1457.2","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C64 H56 N8 O8 S4 -","4","1","","Kumar, Yalla Kiran; Kumar, Gadi Ranjith; Reddy, Thota Jagadeshwar; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Synthesis of 3-Sulfonylamino Quinolines from 1-(2-Aminophenyl) Propargyl Alcohols through a Ag(I)-Catalyzed Hydroamination, (2 + 3) Cycloaddition, and an Unusual Strain-Driven Ring Expansion.","Organic letters","2015","17","9","2226","2229","10.1021/acs.orglett.5b00832","","","0.71073","MoKα","","0.0598","0.0526","","","0.1324","0.1378","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519631","8.9148","0.0006","16.7339","0.0011","10.5655","0.0007","90","","95.855","0.001","90","","1567.93","0.18","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C68 H64 N8 O8 S4 -","4","1","","Kumar, Yalla Kiran; Kumar, Gadi Ranjith; Reddy, Thota Jagadeshwar; Sridhar, Balasubramanian; Reddy, Maddi Sridhar","Synthesis of 3-Sulfonylamino Quinolines from 1-(2-Aminophenyl) Propargyl Alcohols through a Ag(I)-Catalyzed Hydroamination, (2 + 3) Cycloaddition, and an Unusual Strain-Driven Ring Expansion.","Organic letters","2015","17","9","2226","2229","10.1021/acs.orglett.5b00832","","","0.71073","MoKα","","0.0436","0.0399","","","0.1154","0.1199","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519651","5.4571","0.0005","34.89","0.003","7.6271","0.0007","90","","96.378","0.002","90","","1443.2","0.2","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 F3 O4 S -","- C14 H15 F3 O4 S -","- C56 H60 F12 O16 S4 -","4","1","","Liu, Yafei; Shao, Xinxin; Zhang, Panpan; Lu, Long; Shen, Qilong","Trifluoromethyl-substituted sulfonium ylide: rh-catalyzed carbenoid addition to trifluoromethylthioether.","Organic letters","2015","17","11","2752","2755","10.1021/acs.orglett.5b01170","","","0.71073","MoKα","","0.053","0.0446","","","0.121","0.1316","","","","","","1.184","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519652","18.4589","0.0002","58.006","0.0009","11.59672","0.00017","90","","90","","90","","12416.9","0.3","180","","180","","","","101","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C47 H59 N O5 -","- C47 H59 N O5 -","- C564 H708 N12 O60 -","12","3","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.","Organic letters","2015","17","11","2788","2791","10.1021/acs.orglett.5b01200","","","1.5418","CuKα","","0.0526","0.0507","","0.1289","0.1271","0.1288","","","","","","0.8818","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519653","34.9361","0.0016","10.48642","0.00015","26.842","0.0012","90","","135.583","0.008","90","","6882.4","1.1","120","","120","","","","101","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 O5 -","- C41 H46 O5 -","- C328 H368 O40 -","8","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.","Organic letters","2015","17","11","2788","2791","10.1021/acs.orglett.5b01200","","","1.54184","CuKα","","0.038","0.0332","","0.0776","0.0736","0.0776","","","","","","0.8837","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519654","20.7243","0.0006","10.45113","0.00017","21.5504","0.0005","90","","113.543","0.003","90","","4279.1","0.2","180","","180","","","","101","","","","","3","P 1 21 1","P 2yb","4","","","","- C48.5 H58 O6.5 -","- C48.5 H58 O6.5 -","- C194 H232 O26 -","4","2","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds.","Organic letters","2015","17","11","2788","2791","10.1021/acs.orglett.5b01200","","","1.54184","CuKα","","0.091","0.0855","","0.2214","0.2127","0.2213","","","","","","0.9818","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519655","14.0307","0.0016","8.5721","0.001","15.203","0.003","90","","109.89","0.001","90","","1719.4","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Lin, Chao; Zhen, Le; Cheng, Yong; Du, Hong-Jin; Zhao, Hui; Wen, Xiaoan; Kong, Ling-Yi; Xu, Qing-Long; Sun, Hongbin","Visible-light induced isoindoles formation to trigger intermolecular diels-alder reactions in the presence of air.","Organic letters","2015","17","11","2684","2687","10.1021/acs.orglett.5b01078","","","0.71073","MoKα","","0.029","0.0273","","","0.0583","0.0588","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519656","13.373","0.002","16.581","0.003","8.8083","0.0016","90","","93.638","0.003","90","","1949.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","1","","Lin, Chao; Zhen, Le; Cheng, Yong; Du, Hong-Jin; Zhao, Hui; Wen, Xiaoan; Kong, Ling-Yi; Xu, Qing-Long; Sun, Hongbin","Visible-light induced isoindoles formation to trigger intermolecular diels-alder reactions in the presence of air.","Organic letters","2015","17","11","2684","2687","10.1021/acs.orglett.5b01078","","","0.71073","MoKα","","0.0463","0.0364","","","0.1043","0.1201","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519657","10.5446","0.0012","9.5462","0.001","24.575","0.003","90","","91.778","0.002","90","","2472.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl N O7 -","- C24 H28 Cl N O7 -","- C96 H112 Cl4 N4 O28 -","4","1","","Hu, Jiang-Lin; Wang, Lijia; Xu, Hao; Xie, Zuowei; Tang, Yong","Highly diastereoselective and enantioselective formal [4 + 3] cycloaddition of donor-acceptor cyclobutanes with nitrones.","Organic letters","2015","17","11","2680","2683","10.1021/acs.orglett.5b01077","","","0.71073","MoKα","","0.0743","0.0556","","","0.1354","0.1496","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519658","10.409","0.0007","15.4718","0.0011","16.588","0.0011","90","","90","","90","","2671.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br N O6 -","- C28 H28 Br N O6 -","- C112 H112 Br4 N4 O24 -","4","1","","Hu, Jiang-Lin; Wang, Lijia; Xu, Hao; Xie, Zuowei; Tang, Yong","Highly diastereoselective and enantioselective formal [4 + 3] cycloaddition of donor-acceptor cyclobutanes with nitrones.","Organic letters","2015","17","11","2680","2683","10.1021/acs.orglett.5b01077","","","0.71073","MoKα","","0.0661","0.0414","","","0.093","0.1023","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519665","8.066","0.002","11.397","0.002","19.555","0.004","74.776","0.009","80.442","0.009","85.17","0.009","1708.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H66 Co3 N10 O24 S2 -","- C66 H66 Co3 N10 O24 S2 -","- C66 H66 Co3 N10 O24 S2 -","1","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0657","0.05","","","0.1211","0.1368","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519666","25.2378","0.0011","8.6872","0.0004","18.8139","0.0008","90","","130.447","0.005","90","","3139.1","0.3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Co3 N2 O20 S2 -","- C26 H18 Co3 N2 O20 S2 -","- C104 H72 Co12 N8 O80 S8 -","4","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0626","0.0522","","","0.1165","0.1246","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519667","7.6877","0.0003","24.3258","0.0009","18.1655","0.0008","90","","94.185","0.001","90","","3388.1","0.2","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H74 Co3 N8 O32 S2 -","- C56 H66 Co3 N8 O28 S2 -","- C112 H132 Co6 N16 O56 S4 -","2","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71069","MoKα","","0.0489","0.0393","","","0.0967","0.1009","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519668","9.4916","0.0005","9.5694","0.0005","10.5062","0.0005","105.776","0.001","109.863","0.001","94.71","0.001","847.49","0.08","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Co N4 O14 S2 -","- C36 H22 Co N4 O14 S2 -","- C36 H22 Co N4 O14 S2 -","1","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71069","MoKα","","0.0424","0.0352","","","0.0956","0.1146","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519669","10.118","0.005","13.926","0.005","19.699","0.005","90","","90.537","0.005","90","","2775.5","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Co2 N8 O22 S2 -","- C56 H56 Co2 N8 O22 S2 -","- C112 H112 Co4 N16 O44 S4 -","2","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0639","0.0479","","","0.1158","0.1247","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519670","10.5832","0.0005","15.6631","0.0006","9.8457","0.0005","90","","96.447","0.005","90","","1621.76","0.13","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,5-Dihydro-1-1H-pyrrol-1-yl)-3-iodoprop-2-yn-1-one","","- C7 H6 I N O -","- C7 H6 I N O -","- C56 H48 I8 N8 O8 -","8","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0449","0.0342","","","0.078","0.0843","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519671","10.344","0.0003","15.8341","0.0005","10.4832","0.0004","90","","95.996","0.003","90","","1707.63","0.1","179.95","0.1","179.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Iodo-1-(pyrrolidin-1-yl)prop-2-yn-1-one","","- C7 H8 I N O -","- C7 H8 I N O -","- C56 H64 I8 N8 O8 -","8","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.7107","MoKα","","0.053","0.0336","","","0.0571","0.068","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519672","9.1784","0.0003","8.6829","0.0003","11.5199","0.0004","90","","92.699","0.003","90","","917.06","0.05","150.1","0.5","150.1","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodo-1-(piperidin-1-yl)prop-2-yn-1-one","","- C8 H10 I N O -","- C8 H10 I N O -","- C32 H40 I4 N4 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.7107","MoKα","","0.0348","0.0252","","","0.0423","0.0462","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519673","8.7638","0.0003","8.591","0.0003","11.4989","0.0004","90","","101.488","0.004","90","","848.41","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodo-1-(morpholin-4-yl)prop-2-yn-1-one","","- C7 H8 I N O2 -","- C7 H8 I N O2 -","- C28 H32 I4 N4 O8 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.71073","MoKα","","0.0318","0.0241","","","0.0457","0.0497","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519674","10.812","0.0004","8.1725","0.0002","9.279","0.0003","90","","102.202","0.004","90","","801.38","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodopropiolamide acetonitrile complex","","- C5 H5 I N2 O -","- C5 H5 I N2 O -","- C20 H20 I4 N8 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0314","0.0242","","","0.0484","0.0532","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519675","16.1674","0.001","4.1334","0.0003","9.0094","0.0006","90","","90","","90","","602.07","0.07","180.1","0.2","180.1","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Iodo-N-methyl-propiolamide","","- C4 H4 I N O -","- C4 H4 I N O -","- C16 H16 I4 N4 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0253","0.0232","","","0.0528","0.0547","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519680","25.848","0.002","11.2564","0.0005","20.6909","0.0016","90","","122.413","0.011","90","","5082.2","0.9","297","14","297","14","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","3","","- C49 H42 Au2 Cl2 N2 O4 P4 S2 -","- C49 H42 Au2 Cl2 N2 O4 P4 S2 -","- C196 H168 Au8 Cl8 N8 O16 P16 S8 -","4","0.5","","Vidal, C.; Merz, L.; García-Álvarez, J.","Deep eutectic solvents: biorenewable reaction media for Au( <scp>i</scp> )-catalysed cycloisomerisations and one-pot tandem cycloisomerisation/Diels–Alder reactions","Green Chemistry","2015","17","7","3870","3878","10.1039/C5GC00656B","","","1.5418","CuKα","","0.0497","0.0428","","","0.1171","0.1241","","","","","","1.129","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1519694","5.7372","0.0005","21.0648","0.0018","10.9631","0.0011","90","","94.428","0.007","90","","1321","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O4 S -","- C14 H11 N O4 S -","- C56 H44 N4 O16 S4 -","4","1","","Singh, Rahul; Allam, Bharat Kumar; Singh, Neetu; Kumari, Kumkum; Singh, Satish Kumar; Singh, Krishna Nand","A Direct Metal-Free Decarboxylative Sulfono Functionalization (DSF) of Cinnamic Acids to α,β-Unsaturated Phenyl Sulfones.","Organic letters","2015","17","11","2656","2659","10.1021/acs.orglett.5b01037","","","0.71073","MoKα","","0.1744","0.0911","","","0.2394","0.3092","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519695","8.099","0.003","13.445","0.004","16.407","0.005","90","","90","","90","","1786.6","1","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Mitra, Nirmal K.; Meudom, Rolande; Gorden, John D.; Merner, Bradley L.","A non-cross-coupling approach to arene-bridged macrocycles: synthesis, structure, and direct, regioselective functionalization of a cycloparaphenylene fragment.","Organic letters","2015","17","11","2700","2703","10.1021/acs.orglett.5b01102","","","0.71073","","","0.0587","0.0404","","","0.068","0.0721","","","","","","0.973","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519696","6.1061","0.0002","18.8064","0.0005","27.8827","0.0007","90","","90","","90","","3201.88","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F O -","- C13 H13 F O -","- C156 H156 F12 O12 -","12","3","","Witten, Michael R.; Jacobsen, Eric N.","A Simple Primary Amine Catalyst for Enantioselective α-Hydroxylations and α-Fluorinations of Branched Aldehydes.","Organic letters","2015","17","11","2772","2775","10.1021/acs.orglett.5b01193","","","1.54178","CuKα","","0.0484","0.0418","","","0.1078","0.1114","","","","","","1.065","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519697","8.013","0.003","5.1662","0.0018","10.972","0.004","90","","93.376","0.005","90","","453.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H10 Br F O -","- C9 H10 Br F O -","- C18 H20 Br2 F2 O2 -","2","1","","Witten, Michael R.; Jacobsen, Eric N.","A Simple Primary Amine Catalyst for Enantioselective α-Hydroxylations and α-Fluorinations of Branched Aldehydes.","Organic letters","2015","17","11","2772","2775","10.1021/acs.orglett.5b01193","","","0.71073","MoKα","","0.0207","0.0187","","","0.0456","0.0465","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519698","5.5342","0.0002","11.1421","0.0004","14.6505","0.0006","90","","90","","90","","903.39","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 F O -","- C10 H13 F O -","- C40 H52 F4 O4 -","4","1","","Witten, Michael R.; Jacobsen, Eric N.","A Simple Primary Amine Catalyst for Enantioselective α-Hydroxylations and α-Fluorinations of Branched Aldehydes.","Organic letters","2015","17","11","2772","2775","10.1021/acs.orglett.5b01193","","","1.54178","CuKα","","0.0271","0.0258","","","0.067","0.0682","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519755","7.4665","0.0008","21.583","0.002","8.4033","0.0009","90","","107.586","0.002","90","","1290.9","0.2","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Zhang, Xuxue; Dai, Wenpeng; Wu, Wei; Cao, Song","Copper-Catalyzed Coupling Cyclization of gem-Difluoroalkenes with Activated Methylene Carbonyl Compounds: Facile Domino Access to Polysubstituted Furans.","Organic letters","2015","17","11","2708","2711","10.1021/acs.orglett.5b01123","","","0.71073","MoKα","","0.0567","0.0458","","","0.1222","0.1308","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519756","7.3312","0.0004","12.6193","0.0006","14.4778","0.0008","90","","98.847","0.005","90","","1323.47","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C60 H84 O10 -","2","1","","Zhao, Qian-Qian; Song, Qiu-Yan; Jiang, Kan; Li, Guang-Da; Wei, Wen-Jun; Li, Ya; Gao, Kun","Spirochensilides A and B, Two New Rearranged Triterpenoids from Abies chensiensis.","Organic letters","2015","17","11","2760","2763","10.1021/acs.orglett.5b01166","","","1.54184","CuKα","","0.0838","0.0629","","","0.1423","0.1788","","","","","","1.124","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519757","12.6226","0.0008","12.3709","0.0009","14.1124","0.001","90","","90","","90","","2203.7","0.3","298.2","0.1","298.2","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Br Cl2 N2 O -","- C10 H7 Br Cl2 N2 O -","- C80 H56 Br8 Cl16 N16 O8 -","8","1","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.07","0.0412","","","0.1007","0.1141","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519758","7.3945","0.0009","20.124","0.003","17.43","0.002","90","","91.44","0.012","90","","2592.9","0.6","293","0.2","293","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 N2 O -","- C12 H12 Br2.025 N2 O -","- C96 H96 Br16.2 N16 O8 -","8","2","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.204","0.0595","","","0.105","0.1559","","","","","","0.822","","","","has coordinates,has disorder","154781","2020-10-21","18:00:00",""
"1519759","14.9133","0.0011","10.5056","0.0007","7.3297","0.0008","90","","103.561","0.009","90","","1116.35","0.17","299.5","0.4","299.5","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br2 N2 -","- C11 H10 Br2 N2 -","- C44 H40 Br8 N8 -","4","1","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.0889","0.0511","","","0.1127","0.13","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519760","7.501","0.0007","40.025","0.005","16.7795","0.0017","90","","94.664","0.009","90","","5021","0.9","293","0.2","293","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl2 F3 N2 O1.5 -","- C11 H7 Cl2 F3 N2 O1.5 -","- C176 H112 Cl32 F48 N32 O24 -","16","4","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.3006","0.1284","","","0.3051","0.4112","","","","","","1.012","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519761","14.443","0.002","7.5861","0.0012","21.306","0.003","90","","90","","90","","2334.4","0.6","293","0.2","293","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Br2 F N2 -","- C11 H9 Br2 F N2 -","- C88 H72 Br16 F8 N16 -","8","1","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.2105","0.0649","","","0.1359","0.1945","","","","","","0.993","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1519848","8.8887","0.0009","18.4179","0.0018","6.9957","0.0007","90","","115.638","0.002","90","","1032.52","0.18","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Hassan, Ahmed H. E.; Lee, Jae Kyun; Pae, Ae Nim; Min, Sun-Joon; Cho, Yong Seo","Synthesis of the Tricyclic Ring Structure of Daphnanes via Intramolecular [4 + 3] Cycloaddition/SmI2-Pinacol Coupling.","Organic letters","2015","17","11","2672","2675","10.1021/acs.orglett.5b01054","","","0.71075","MoKα","","","0.0612","","","","0.2168","","","","","","1.128","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519849","10.7308","0.001","8.7467","0.0007","12.089","0.0014","90","","109.485","0.003","90","","1069.68","0.18","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Hassan, Ahmed H. E.; Lee, Jae Kyun; Pae, Ae Nim; Min, Sun-Joon; Cho, Yong Seo","Synthesis of the Tricyclic Ring Structure of Daphnanes via Intramolecular [4 + 3] Cycloaddition/SmI2-Pinacol Coupling.","Organic letters","2015","17","11","2672","2675","10.1021/acs.orglett.5b01054","","","0.71075","MoKα","","","0.0425","","","","0.1277","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519850","5.7399","0.0011","15.532","0.003","20.365","0.004","90","","96.93","0.011","90","","1802.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br N O2 -","- C22 H16 Br N O2 -","- C88 H64 Br4 N4 O8 -","4","1","","Dhanasekaran, Sivasankaran; Kayet, Anirban; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K.","Unified Approach to Isoindolinones and THIQs via Lewis Acid Catalyzed Domino Mukaiyama-Mannich Lactamization/Alkylations: Application in the Synthesis of (±)-Homolaudanosine.","Organic letters","2015","17","11","2780","2783","10.1021/acs.orglett.5b01197","","","0.71073","MoKα","","0.0939","0.0487","","","0.1384","0.1582","","","","","","0.991","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1519851","4.8624","0.0019","11.167","0.004","23.437","0.009","90","","94.33","0.006","90","","1269","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C64 H48 N16 -","4","1","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Li, Deng-Kui; Wu, An-Xin","Consecutive Cycloaddition/SNAr/Reduction/Cyclization/Oxidation Sequences: A Copper-Catalyzed Multicomponent Synthesis of Fused N-Heterocycles.","Organic letters","2015","17","11","2820","2823","10.1021/acs.orglett.5b01242","","","0.71073","MoKα","","0.0783","0.0631","","","0.1712","0.1812","","","","","","1.083","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519923","6.1791","0.0002","23.0423","0.0006","6.9392","0.0002","90","","110.037","0.001","90","","928.21","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C42 H68 O6 -","2","1","","Hosseini, Abolfazl; Seidel, Daniel; Miska, Andreas; Schreiner, Peter R.","Fluoride-assisted activation of calcium carbide: a simple method for the ethynylation of aldehydes and ketones.","Organic letters","2015","17","11","2808","2811","10.1021/acs.orglett.5b01219","","","1.54178","CuKα","","0.0283","0.0279","","","0.0746","0.0747","","","","","","1.125","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1519924","10.9392","0.0004","8.3314","0.0003","22.5089","0.0008","90","","102.759","0.003","90","","2000.78","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Fe N3 -","- C25 H21 Fe N3 -","- C100 H84 Fe4 N12 -","4","1","","Wei, Fang; Li, Haoyu; Song, Chuanling; Ma, Yudao; Zhou, Ling; Tung, Chen-Ho; Xu, Zhenghu","Cu/Pd-Catalyzed, Three-Component Click Reaction of Azide, Alkyne, and Aryl Halide: One-Pot Strategy toward Trisubstituted Triazoles.","Organic letters","2015","17","11","2860","2863","10.1021/acs.orglett.5b01342","","","1.54178","CuKα","","0.0433","0.0361","","","0.0981","0.1034","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519998","7.0685","0.0016","15.143","0.003","17.388","0.004","90","","90","","90","","1861.2","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N0 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Annam, S Ch V Appa Rao; Ankireddy, Madhu; Sura, Madhu Babu; Ponnapalli, Mangala Gowri; Sarma, Akella V. S.; S, Jeelani Basha","Epimeric Excolides from the Stems of Excoecaria agallocha and Structural Revision of Rhizophorin A.","Organic letters","2015","17","11","2840","2843","10.1021/acs.orglett.5b01257","","","0.71073","MoKα","","0.0455","0.0395","","","0.0925","0.0961","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519999","9.4777","0.0006","7.3392","0.0003","13.4089","0.0006","90","","91.432","0.005","90","","932.41","0.08","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C40 H56 O10 -","2","1","","Annam, S Ch V Appa Rao; Ankireddy, Madhu; Sura, Madhu Babu; Ponnapalli, Mangala Gowri; Sarma, Akella V. S.; S, Jeelani Basha","Epimeric Excolides from the Stems of Excoecaria agallocha and Structural Revision of Rhizophorin A.","Organic letters","2015","17","11","2840","2843","10.1021/acs.orglett.5b01257","","","0.71073","MoKα","","0.0595","0.044","","","0.0866","0.0961","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:55",""
"1520000","13.2416","0.0008","13.1779","0.0008","15.2428","0.0008","90","","109.387","0.002","90","","2509","0.3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,14<i>SR</i>)-3,13-dioxo-7-methoxymethoxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-ene-10-yl benzoate","","- C29 H36 O8 -","- C29 H36 O8 -","- C116 H144 O32 -","4","1","","Fukaya, Keisuke; Kodama, Keisuke; Tanaka, Yuta; Yamazaki, Hirohisa; Sugai, Tomoya; Yamaguchi, Yu; Watanabe, Ami; Oishi, Takeshi; Sato, Takaaki; Chida, Noritaka","Synthesis of Paclitaxel. 2. Construction of the ABCD Ring and Formal Synthesis.","Organic letters","2015","17","11","2574","2577","10.1021/acs.orglett.5b01174","","","0.71073","MoKα","","0.0832","0.0439","","","0.0884","0.105","","","","","","0.962","","","","has coordinates","140280","2020-10-21","18:00:00",""
"1520001","14.376","0.0006","14.699","0.0006","21.34","0.0008","90","","107.79","0.001","90","","4293.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Co N2 P3 -","- C54 H46 Co N2 P3 -","- C216 H184 Co4 N8 P12 -","4","1","","Scheuermann, Margaret L.; Johnson, Elizabeth J.; Chirik, Paul J.","Alkene isomerization-hydroboration promoted by phosphine-ligated cobalt catalysts.","Organic letters","2015","17","11","2716","2719","10.1021/acs.orglett.5b01135","","","1.54178","CuKα","","0.0269","0.0266","","","0.0696","0.0698","","","","","","1.042","","","","has coordinates","140282","2020-10-21","18:00:00",""
"1520002","9.3612","0.0006","19.6336","0.0015","14.1965","0.0009","90","","101.762","0.002","90","","2554.4","0.3","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>SR</i>,14<i>SR</i>)-13-hydroxy-7-methoxymethoxy-3-oxo-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-ene-10-yl benzoate","","- C29 H38 O8 -","- C29 H38 O8 -","- C116 H152 O32 -","4","1","","Fukaya, Keisuke; Tanaka, Yuta; Sato, Ayako C.; Kodama, Keisuke; Yamazaki, Hirohisa; Ishimoto, Takeru; Nozaki, Yasuyoshi; Iwaki, Yuki M.; Yuki, Yohei; Umei, Kentaro; Sugai, Tomoya; Yamaguchi, Yu; Watanabe, Ami; Oishi, Takeshi; Sato, Takaaki; Chida, Noritaka","Synthesis of Paclitaxel. 1. Synthesis of the ABC Ring of Paclitaxel by SmI2-Mediated Cyclization.","Organic letters","2015","17","11","2570","2573","10.1021/acs.orglett.5b01173","","","0.71073","MoKα","","0.0733","0.0428","","","0.0978","0.1111","","","","","","1.02","","","","has coordinates","140286","2020-10-21","18:00:00",""
"1520003","9.6397","0.0006","13.6008","0.0008","15.0461","0.001","83.6966","0.0019","77.488","0.002","77.9768","0.0018","1879.2","0.2","90","","90","","","","","","","","","3","P -1","-P 1","2","","(±)-(4<i>RS</i>,5<i>RS</i>,7<i>SR</i>)-4-[(1<i>RS</i>,2<i>RS</i>,3<i>RS</i>,6<i>RS</i>)-3-Benzoyloxy-2-(2-hydroxyethyl)-6-methoxymethoxy-2-methylcyclohexyl]-8,10,10-trimethyl-2-oxo-1,3-dioxaspiro[4.5]dec-8-en-7-yl benzoate benzene monosolvate","","- C42 H50 O10 -","- C42 H50 O10 -","- C84 H100 O20 -","2","1","IS5382","Fukaya, Keisuke; Tanaka, Yuta; Sato, Ayako C.; Kodama, Keisuke; Yamazaki, Hirohisa; Ishimoto, Takeru; Nozaki, Yasuyoshi; Iwaki, Yuki M.; Yuki, Yohei; Umei, Kentaro; Sugai, Tomoya; Yamaguchi, Yu; Watanabe, Ami; Oishi, Takeshi; Sato, Takaaki; Chida, Noritaka","Synthesis of Paclitaxel. 1. Synthesis of the ABC Ring of Paclitaxel by SmI2-Mediated Cyclization.","Organic letters","2015","17","11","2570","2573","10.1021/acs.orglett.5b01173","","","0.71073","MoKα","","0.059","0.0419","","","0.1224","0.1506","","","","","","0.932","","","","has coordinates","140286","2020-10-21","18:00:00",""
"1520004","11.3343","0.0005","15.4666","0.0007","16.487","0.0008","85.1124","0.0014","78.3773","0.0014","78.5231","0.0015","2771.3","0.2","90","","90","","","","","","","","","3","P -1","-P 1","2","","(±)-(1<i>SR</i>,5<i>SR</i>,6<i>SR</i>,7<i>SR</i>,10<i>SR</i>,11<i>SR</i>,13<i>RS</i>,14<i>SR</i>)-13-Hydroxy-7-methoxymethoxy-3-oxo-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.0^1,5^.0^6,11^]octadec-15-en-10-yl benzoate","","- C30.25 H41 O8 -","- C30.25 H41 O8 -","- C121 H164 O32 -","4","2","","Fukaya, Keisuke; Tanaka, Yuta; Sato, Ayako C.; Kodama, Keisuke; Yamazaki, Hirohisa; Ishimoto, Takeru; Nozaki, Yasuyoshi; Iwaki, Yuki M.; Yuki, Yohei; Umei, Kentaro; Sugai, Tomoya; Yamaguchi, Yu; Watanabe, Ami; Oishi, Takeshi; Sato, Takaaki; Chida, Noritaka","Synthesis of Paclitaxel. 1. Synthesis of the ABC Ring of Paclitaxel by SmI2-Mediated Cyclization.","Organic letters","2015","17","11","2570","2573","10.1021/acs.orglett.5b01173","","","0.71073","MoKα","","0.0636","0.04","","","0.0869","0.0989","","","","","","1.023","","","","has coordinates,has disorder","140286","2020-10-21","18:00:00",""
"1520005","8.5353","0.0012","10.6984","0.0015","15.609","0.002","90","","104.429","0.002","90","","1380.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Zhou, Wei; Ni, Shengyang; Mei, Haibo; Han, Jianlin; Pan, Yi","Hydroxyalkylation-initiated radical cyclization of N-allylbenzamide for direct construction of isoquinolinone.","Organic letters","2015","17","11","2724","2727","10.1021/acs.orglett.5b01140","","","0.71073","MoKα","","0.0675","0.0464","","","0.1233","0.1379","","","","","","1.021","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520068","10.037","0.002","8.2451","0.0018","18.991","0.005","90","","101.279","0.002","90","","1541.3","0.6","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Br2 N4 O2 -","- C32 H36 Br2 N4 O2 -","- C64 H72 Br4 N8 O4 -","2","0.5","","Zhu, Xiaxia; Du, Haifeng","A Highly Stereoselective Metal-Free Hydrogenation of Diimines for the Synthesis of Cis-Vicinal Diamines.","Organic letters","2015","17","12","3106","3109","10.1021/acs.orglett.5b01380","","","0.71073","MoKα","","0.0448","0.0403","","","0.094","0.0966","","","","","","1.145","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520076","12.828","0.0006","25.0953","0.0011","21.3666","0.0009","90","","131.748","0.001","90","","5131.8","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.0587","0.0384","","","0.0842","0.093","","","","","","1.032","","","","has coordinates","173731","2020-10-21","18:00:00",""
"1520077","12.9112","0.0009","25.0981","0.0018","21.0634","0.0014","90","","131.739","0.001","90","","5093.1","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.0723","0.0464","","","0.0924","0.1062","","","","","","1.001","","","","has coordinates,has disorder","173731","2020-10-21","18:00:00",""
"1520078","12.99","0.0008","25.155","0.0014","21.7332","0.0014","90","","131.733","0.002","90","","5299.6","0.6","353","","353","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.1045","0.0503","","","0.1123","0.1385","","","","","","1.011","","","","has coordinates,has disorder","173731","2020-10-21","18:00:00",""
"1520079","17.1017","0.0013","13.7034","0.0008","10.0254","0.0011","90","","105.429","0.011","90","","2264.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H0.25 O13 Zn3 -","- C12 H4 O13 Zn3 -","- C48 H16 O52 Zn12 -","4","0.5","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.7107","MoKα","","0.0731","0.0604","","","0.1414","0.1478","","","","","","1.121","","","","has coordinates","143432","2020-10-21","18:00:00",""
"1520080","12.6947","0.0008","12.8242","0.0006","14.7971","0.0007","85.11","0.004","65.988","0.005","89.663","0.004","2191.4","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H69 N7 O44.17 Zn6 -","- C65 H69 N7 O44.1666 Zn6 -","- C65 H69 N7 O44.1666 Zn6 -","1","0.5","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.71073","MoKα","","0.0708","0.0581","","","0.1542","0.1672","","","","","","1.049","","","","has coordinates,has disorder","143432","2020-10-21","18:00:00",""
"1520081","9.3468","0.0012","15.2267","0.0008","17.6517","0.0008","90","","95.599","0.008","90","","2500.2","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N2 O11 Zn1.5 -","- C17 H19 N2 O11 Zn1.5 -","- C68 H76 N8 O44 Zn6 -","4","1","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.71073","MoKα","","0.1169","0.0875","","","0.2335","0.2587","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520116","9.0455","0.0019","9.563","0.002","11.529","0.002","103.716","0.018","98.763","0.017","98.986","0.019","938.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H19 N -","- C28 H19 N -","- C56 H38 N2 -","2","1","","Liu, Xingyan; Li, Xiaoyu; Liu, Hu; Guo, Qiang; Lan, Jingbo; Wang, Ruilin; You, Jingsong","Aldehyde as a Traceless Directing Group for Rh(III)-Catalyzed C-H Activation: A Facile Access to Diverse Indolo[1,2-a]quinolines.","Organic letters","2015","17","12","2936","2939","10.1021/acs.orglett.5b01171","","","1.54184","CuKα","","0.1332","0.0809","","","0.1909","0.233","","","","","","0.979","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520117","8.9435","0.0002","12.1892","0.0003","12.2642","0.0003","63.163","0.001","87.526","0.001","77.6","0.001","1162.92","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H18 F8 I O3.5 S2 -","- C17.5 H18 F8 I O3.5 S2 -","- C35 H36 F16 I2 O7 S4 -","2","1","","Matsuzaki, Kohei; Okuyama, Kenta; Tokunaga, Etsuko; Saito, Norimichi; Shiro, Motoo; Shibata, Norio","Synthesis of Diaryliodonium Salts Having Pentafluorosulfanylarenes and Their Application to Electrophilic Pentafluorosulfanylarylation of C-, O-, N-, and S-Nucleophiles.","Organic letters","2015","17","12","3038","3041","10.1021/acs.orglett.5b01323","","","0.71075","MoKα","","0.0292","0.0275","","","0.0879","0.0929","","","","","","1.194","","","","has coordinates,has disorder","141406","2020-10-21","18:00:00",""
"1520118","4.7531","0.0007","15.683","0.002","14.17","0.002","90","","90.383","0.003","90","","1056.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Sinapic Acid","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0613","0.0392","","","0.1034","0.1148","","","","","","1.301","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520119","4.9109","0.0011","9.1732","0.0018","18.814","0.004","99.563","0.007","94.601","0.007","90.531","0.007","832.9","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","Sinapic Acid + Nicotinamide","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C34 H36 N4 O12 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.1262","0.0536","","","0.1082","0.1322","","","","","","0.986","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520120","14.893","0.003","31.878","0.006","6.5992","0.0014","90","","95.192","0.004","90","","3120.2","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sinapic Acid + 4-Pyridinecarbonitrile","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C136 H128 N16 O40 -","8","2","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0938","0.0652","","","0.1548","0.1683","","","","","","1.155","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520121","8.2922","0.0008","10.5857","0.001","14.7818","0.0015","98.274","0.002","94.315","0.002","105.62","0.002","1227.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Sinapic Acid + 6-Propyl-2-thiouracil . 2 Acetonitrile","","","- C22 H28 N4 O6 S -","- C22 H28 N4 O6 S -","- C44 H56 N8 O12 S2 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0474","0.0393","","","0.1031","0.1089","","","","","","1.07","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520122","8.452","0.0006","10.605","0.001","14.9134","0.0013","98.535","0.003","94.47","0.003","104.13","0.003","1272.82","0.19","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Sinapic Acid + 6-Propyl-2-thiouracil . 2 Acetonitrile","","","- C22 H28 N4 O6 S -","- C22 H28 N4 O6 S -","- C44 H56 N8 O12 S2 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0995","0.0522","","","0.1468","0.1694","","","","","","1.015","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520220","42.784","0.004","6.0454","0.0006","31.552","0.003","90","","119.951","0.002","90","","7071","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N -","- C24 H19 N -","- C384 H304 N16 -","16","2","","Li, Xiangdong; Chen, Ming; Xie, Xin; Sun, Ning; Li, Shi; Liu, Yuanhong","Synthesis of Multiple-Substituted Pyrroles via Gold(I)-Catalyzed Hydroamination/Cyclization Cascade.","Organic letters","2015","17","12","2984","2987","10.1021/acs.orglett.5b01281","","","0.71073","MoKα","","0.0862","0.0594","","","0.1526","0.1703","","","","","","1.054","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520221","12.0216","0.0013","6.2012","0.0007","30.083","0.003","90","","101.315","0.003","90","","2199","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N -","- C30 H23 N -","- C120 H92 N4 -","4","1","","Li, Xiangdong; Chen, Ming; Xie, Xin; Sun, Ning; Li, Shi; Liu, Yuanhong","Synthesis of Multiple-Substituted Pyrroles via Gold(I)-Catalyzed Hydroamination/Cyclization Cascade.","Organic letters","2015","17","12","2984","2987","10.1021/acs.orglett.5b01281","","","0.71073","MoKα","","0.1184","0.0638","","","0.136","0.1576","","","","","","1.026","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520222","29.558","0.003","6.041","0.0006","19.696","0.002","90","","104.661","0.002","90","","3402.4","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 N -","- C23 H19 N -","- C184 H152 N8 -","8","1","","Li, Xiangdong; Chen, Ming; Xie, Xin; Sun, Ning; Li, Shi; Liu, Yuanhong","Synthesis of Multiple-Substituted Pyrroles via Gold(I)-Catalyzed Hydroamination/Cyclization Cascade.","Organic letters","2015","17","12","2984","2987","10.1021/acs.orglett.5b01281","","","0.71073","MoKα","","0.0597","0.0476","","","0.1165","0.1247","","","","","","1.037","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520223","16.1172","0.0012","16.1172","0.0012","5.6393","0.0004","90","","90","","120","","1268.63","0.16","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C14 H16 Cl3 N O3 -","- C14 H16 Cl3 N O3 -","- C42 H48 Cl9 N3 O9 -","3","1","","Skvorcova, Marija; Grigorjeva, Liene; Jirgensons, Aigars","Tetrahydro-1,3-oxazepines via Intramolecular Amination of Cyclopropylmethyl Cation.","Organic letters","2015","17","12","2902","2904","10.1021/acs.orglett.5b01014","","","0.71073","MoKα","","0.2304","0.0888","","","0.1849","0.2421","","","","","","1.007","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520224","10.363","0.003","9.318","0.002","11.453","0.004","90","","112.7","0.04","90","","1020.3","0.6","291.89","0.1","291.89","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 N4 O2 S -","- C22 H22 N4 O2 S -","- C44 H44 N8 O4 S2 -","2","1","","Wang, Linqing; Yang, Dongxu; Li, Dan; Wang, Rui","Catalytic Enantioselective Ring-Opening and Ring-Closing Reactions of 3-Isothiocyanato Oxindoles and N-(2-Picolinoyl)aziridines.","Organic letters","2015","17","12","3004","3007","10.1021/acs.orglett.5b01291","","","0.71073","MoKα","","0.1","0.0598","","","0.125","0.1618","","","","","","0.994","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520225","4.5905","0.0005","23.474","0.003","13.2529","0.0015","90","","91.746","0.004","90","","1427.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N3 O3 -","- C13 H21 N3 O3 -","- C52 H84 N12 O12 -","4","1","","Martínez, Luís; Martorell, Gabriel; Sampedro, Ángel; Ballester, Pablo; Costa, Antoni; Rotger, Carmen","Hydrogen Bonded Squaramide-Based Foldable Module Induces Both β- and α-Turns in Hairpin Structures of α-Peptides in Water.","Organic letters","2015","17","12","2980","2983","10.1021/acs.orglett.5b01268","","","0.71073","MoKα","","0.0919","0.0562","","","0.1281","0.145","","","","","","1.031","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520297","26.6011","0.001","19.037","0.0009","14.4208","0.0005","90","","114.731","0.002","90","","6633","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Pseudorotaxane of propionic acid","","","- C52 H60 Br N4 O18 S2 -","- C52 H60 Br N4 O18 S2 -","- C208 H240 Br4 N16 O72 S8 -","4","0.5","","Carrasco-Ruiz, Anayeli; Tiburcio, Jorge","Electrostatic Kinetic Barriers in the Threading/Dethreading Motion of a Rotaxane-like Complex.","Organic letters","2015","17","8","1858","1861","10.1021/acs.orglett.5b00530","","","0.71073","MoKα","","0.1888","0.1353","","","0.3612","0.3904","","","","","","1.302","","","","has coordinates","138023","2020-10-21","18:00:00",""
"1520298","11.8381","0.0003","23.4128","0.0006","11.8991","0.0004","90","","107.339","0.001","90","","3148.12","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pseudorotaxane propionate","","","- C52 H86 N4 O32 S2 -","- C52 H86 N4 O32 S2 -","- C104 H172 N8 O64 S4 -","2","0.5","","Carrasco-Ruiz, Anayeli; Tiburcio, Jorge","Electrostatic Kinetic Barriers in the Threading/Dethreading Motion of a Rotaxane-like Complex.","Organic letters","2015","17","8","1858","1861","10.1021/acs.orglett.5b00530","","","0.71073","MoKα","","0.2381","0.1216","","","0.3136","0.3745","","","","","","1.076","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520299","5.7232","0.0004","10.8546","0.001","32.913","0.002","90","","90","","90","","2044.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 I O3 -","- C22 H23 I O3 -","- C88 H92 I4 O12 -","4","1","","Merad, Jérémy; Borkar, Prashant; Bouyon Yenda, Tracy; Roux, Christèle; Pons, Jean-Marc; Parrain, Jean-Luc; Chuzel, Olivier; Bressy, Cyril","Highly Enantioselective Acylation of Acyclic Meso 1,3-Diols through Synergistic Isothiourea-Catalyzed Desymmetrization/Chiroablative Kinetic Resolution.","Organic letters","2015","17","9","2118","2121","10.1021/acs.orglett.5b00707","","x-ray","1.54184","CuKα","","0.0749","0.0594","","","0.1674","0.1916","","","","","","1.125","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1520300","7.1052","0.0003","14.1156","0.0006","16.3735","0.0008","105.153","0.002","91.858","0.003","102.309","0.002","1541.85","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N4 O2 -","- C36 H46 N4 O2 -","- C72 H92 N8 O4 -","2","1","","Meehan, Eileen; Li, Ruoshi; Zeller, Matthias; Brückner, Christian","Octaethyl-1,3-oxazinochlorin: A β-Octaethylchlorin Analogue Made by Pyrrole Expansion.","Organic letters","2015","17","9","2210","2213","10.1021/acs.orglett.5b00800","","","1.54178","CuKα","","0.0721","0.0576","","","0.1555","0.1717","","","","","","1.042","","","","has coordinates,has disorder","138027","2020-10-21","18:00:00",""
"1520301","26.0651","0.0012","15.2582","0.0007","9.5468","0.0005","90","","96.584","0.002","90","","3771.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H58.333 N5 O -","- C40.9994 H58.3322 N4.99998 O -","- C163.998 H233.329 N19.9999 O4 -","4","1","","Meehan, Eileen; Li, Ruoshi; Zeller, Matthias; Brückner, Christian","Octaethyl-1,3-oxazinochlorin: A β-Octaethylchlorin Analogue Made by Pyrrole Expansion.","Organic letters","2015","17","9","2210","2213","10.1021/acs.orglett.5b00800","","","1.54178","CuKα","","0.0578","0.0465","","","0.1324","0.1438","","","","","","1.035","","","","has coordinates,has disorder","138028","2020-10-21","18:00:00",""
"1520302","18.4779","0.0014","9.1189","0.0007","19.3437","0.0015","90","","109.352","0.001","90","","3075.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","syn-1,2-bis(5-bromo-2-hydroxyphenyl)-2-((diphenylmethylene)amino)ethyl acetate","","- C33 H31 Br2 N O6 -","- C33 H31 Br2 N O6 -","- C132 H124 Br8 N4 O24 -","4","1","","Tang, Shaojian; Park, Jong Yeun; Yeagley, Andrew A.; Sabat, Michal; Chruma, Jason J.","Decarboxylative Generation of 2-Azaallyl Anions: 2-Iminoalcohols via a Decarboxylative Erlenmeyer Reaction.","Organic letters","2015","17","9","2042","2045","10.1021/acs.orglett.5b00107","","","0.71073","MoKα","","0.1235","0.0674","","","0.1479","0.1704","","","","","","1.023","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520303","11.1164","0.0006","12.6843","0.0007","11.5897","0.0007","90","","118.363","0.002","90","","1438.02","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 Cl N2 Ni -","- C13 H23 Cl N2 Ni -","- C52 H92 Cl4 N8 Ni4 -","4","1","","Shields, Jason D.; Gray, Erin E.; Doyle, Abigail G.","A modular, air-stable nickel precatalyst.","Organic letters","2015","17","9","2166","2169","10.1021/acs.orglett.5b00766","","","0.71073","MoKα","","0.0583","0.0502","","","0.1216","0.1258","","","","","","1.394","","","","has coordinates","138030","2020-10-21","18:00:00",""
"1520304","15.592","0.0006","20.5827","0.0003","60.065","0.0012","90","","90","","90","","19276.4","0.9","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66.33 H81.67 N2 O4 Yb -","- C66.3333 H81.6667 N2 O4 Yb -","- C796 H980 N24 O48 Yb12 -","12","3","","Zeng, Chao; Yuan, Dan; Zhao, Bei; Yao, Yingming","Highly Enantioselective Epoxidation of α,β-Unsaturated Ketones Catalyzed by Rare-Earth Amides [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 with Phenoxy-Functionalized Chiral Prolinols.","Organic letters","2015","17","9","2242","2245","10.1021/acs.orglett.5b00833","","","1.54184","CuKα","","0.0944","0.071","","","0.1658","0.1855","","","","","","1.002","","","","has coordinates,has disorder","138031","2020-10-21","18:00:00",""
"1520305","16.4651","0.0013","6.6186","0.0004","14.9686","0.0012","90","","109.033","0.006","90","","1542","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 N O4 -","- C6 H9 N O4 -","- C48 H72 N8 O32 -","8","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0458","0.0329","","","0.0817","0.0845","","","","","","1.005","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520306","11.0623","0.0004","9.4884","0.0004","11.6015","0.0005","90","","90.961","0.004","90","","1217.56","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","JR2068S3M","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0511","0.0359","","","0.0723","0.0782","","","","","","1.063","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520307","9.5474","0.0005","11.4938","0.0006","11.5223","0.0006","92.227","0.004","96.964","0.004","91.605","0.004","1253.45","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 B F2 N O3 -","- C10 H16 B F2 N O3 -","- C40 H64 B4 F8 N4 O12 -","4","2","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0387","0.0296","","","0.0776","0.0796","","","","","","1.056","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520308","7.8638","0.0003","14.0418","0.0005","12.6427","0.0005","90","","91.6599","0.0014","90","","1395.45","0.09","115","2","115","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 B F2 N O3 -","- C12 H20 B F2 N O3 -","- C48 H80 B4 F8 N4 O12 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0353","0.0316","","","0.0768","0.0794","","","","","","1.076","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520309","14.7772","0.0013","11.1085","0.001","16.6848","0.0013","90","","92.405","0.004","90","","2736.4","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H18 B F2 N O3 -","- C12 H18 B F2 N O3 -","- C96 H144 B8 F16 N8 O24 -","8","4","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0954","0.0794","","","0.1921","0.2043","","","","","","1.123","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520310","10.6399","0.0007","11.8723","0.0007","11.9174","0.0007","90","","107.028","0.002","90","","1439.41","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 B F2 N O3 -","- C13 H20 B F2 N O3 -","- C52 H80 B4 F8 N4 O12 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0604","0.053","","","0.1483","0.1563","","","","","","1.056","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520311","11.3963","0.0005","11.7254","0.0005","12.5468","0.0006","74.986","0.004","64.116","0.003","64.237","0.003","1353.47","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 B F2 N O4 -","- C12 H18 B F2 N O4 -","- C48 H72 B4 F8 N4 O16 -","4","2","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0427","0.0325","","","0.0912","0.0941","","","","","","1.049","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520312","12.1721","0.0008","49.556","0.003","8.341","0.0006","90","","90","","90","","5031.3","0.6","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","JR2102A3","","","- C10 H16 B F2 N O4 -","- C10 H16 B F2 N O4 -","- C160 H256 B16 F32 N16 O64 -","16","2","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0721","0.042","","","0.0643","0.0721","","","","","","1.029","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520313","7.0022","0.0003","7.7079","0.0004","12.3657","0.0006","83.232","0.002","83.476","0.002","76.265","0.002","641.26","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 B F2 N O4 -","- C10 H16 B F2 N O4 -","- C20 H32 B2 F4 N2 O8 -","2","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0333","0.0297","","","0.0739","0.0763","","","","","","1.063","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520314","7.8792","0.001","8.1476","0.0011","10.2749","0.0013","106.191","0.004","106.585","0.004","104.538","0.004","566.58","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C20 H34 N2 O8 -","2","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0649","0.0492","","","0.1247","0.1358","","","","","","1.059","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520315","16.8311","0.0007","9.1985","0.0003","18.0999","0.0008","90","","90","","90","","2802.24","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 B F2 N O4 -","- C12 H20 B F2 N O4 -","- C96 H160 B8 F16 N8 O32 -","8","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.049","0.0374","","","0.0829","0.0885","","","","","","1.026","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520316","10.3517","0.0006","15.7916","0.0011","9.5485","0.0006","90","","99.476","0.002","90","","1539.59","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","JR2136","","","- C12 H18 B Br2 F2 N O4 -","- C12 H18 B Br2 F2 N O4 -","- C48 H72 B4 Br8 F8 N4 O16 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0353","0.0288","","","0.0754","0.0794","","","","","","1.037","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520317","8.8688","0.0004","18.0772","0.0008","6.0396","0.0003","90","","94.753","0.003","90","","964.96","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Br O4 -","- C8 H11 Br O4 -","- C32 H44 Br4 O16 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.031","0.0236","","","0.051","0.0538","","","","","","1.052","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520318","12.2584","0.0005","10.1061","0.0004","31.0115","0.0013","90","","90","","90","","3841.8","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","JR21673","","","- C19 H23.6 B F2 N2 O5.3 -","- C19 H23.603 B F2 N2 O5.3015 -","- C152 H188.824 B8 F16 N16 O42.412 -","8","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0541","0.0383","","","0.0822","0.0887","","","","","","1.072","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520319","15.4609","0.0006","8.0727","0.0002","15.6576","0.0005","90","","103.611","0.002","90","","1899.36","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","JR2192","","","- C19 H23 B F2 N2 O5 -","- C19 H23 B F2 N2 O5 -","- C76 H92 B4 F8 N8 O20 -","4","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.0462","0.04","","","0.0958","0.0994","","","","","","1.054","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520320","12.5638","0.0015","14.8917","0.0018","13.7164","0.0017","90","","104.477","0.001","90","","2484.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N2 O4 P -","- C30 H25 N2 O4 P -","- C120 H100 N8 O16 P4 -","4","1","","Yamamura, Masaki; Takizawa, Hiroyuki; Nabeshima, Tatsuya","Zwitterionic N2O2-Type Protonated Dipyrrin Bearing a Phosphate Anionic Moiety as a pH-Responsive Fluorescence Indicator.","Organic letters","2015","17","12","3114","3117","10.1021/acs.orglett.5b01414","","","0.71073","MoKα","","0.0424","0.0346","","","0.0867","0.0917","","","","","","1.02","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520385","18.718","0.0014","20.1801","0.0014","21.555","0.002","63.466","0.008","65.8","0.008","82.646","0.006","6629.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","sapphyrin","","","- C41 H45 Cl2 N5 O18 -","- C41 H45 Cl2 N5 O18 -","- C246 H270 Cl12 N30 O108 -","6","3","","Rana, Anup; Sathish Kumar, B.; Panda, Pradeepta K.","β-Decamethoxysapphyrin and Its N-Benzyl Analogue.","Organic letters","2015","17","12","3030","3033","10.1021/acs.orglett.5b01306","","","0.71073","MoKα","","0.2907","0.1035","","","0.2355","0.3555","","","","","","0.957","","","","has coordinates","140270","2020-10-21","18:00:00",""
"1520386","9.5948","0.0003","11.7166","0.0003","43.6295","0.0016","90","","91.392","0.004","90","","4903.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sapphyrin","decamethoxysapphyrin","","- C48 H53 N5 O16 S2 -","- C48 H53 N5 O16 S2 -","- C192 H212 N20 O64 S8 -","4","1","","Rana, Anup; Sathish Kumar, B.; Panda, Pradeepta K.","β-Decamethoxysapphyrin and Its N-Benzyl Analogue.","Organic letters","2015","17","12","3030","3033","10.1021/acs.orglett.5b01306","","","1.54184","CuKα","","0.1103","0.0921","","","0.2555","0.2745","","","","","","1.115","","","","has coordinates","140270","2020-10-21","18:00:00",""
"1520387","10.656","0.003","38.925","0.009","11.435","0.003","90","","111.21","0.03","90","","4422","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H51 N5 O13 S -","- C48 H51 N5 O13 S -","- C192 H204 N20 O52 S4 -","4","1","","Rana, Anup; Sathish Kumar, B.; Panda, Pradeepta K.","β-Decamethoxysapphyrin and Its N-Benzyl Analogue.","Organic letters","2015","17","12","3030","3033","10.1021/acs.orglett.5b01306","","","0.71073","MoKα","","0.2418","0.0854","","","0.1505","0.2325","","","","","","0.98","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520388","8.6008","0.0011","10.6881","0.0012","18.1","0.003","90","","90","","90","","1663.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Battini, Narsaiah; Battula, Satyanarayana; Kumar, Raju Ranjith; Ahmed, Qazi Naveed","2-Oxo Driven Unconventional reactions: Microwave Assisted Approaches to Tetrahydrofuro[3,2-d]oxazoles and Furanones.","Organic letters","2015","17","12","2992","2995","10.1021/acs.orglett.5b01271","","","0.71073","MoKα","","0.0697","0.0468","","","0.1004","0.1151","","","","","","1.036","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520439","7.923","0.003","11.039","0.004","27.77","0.012","90","","96.981","0.014","90","","2410.8","1.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 B Cl2 F8 N3 -","- C26 H18 B Cl2 F8 N3 -","- C104 H72 B4 Cl8 F32 N12 -","4","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.0569","0.0549","","","0.1471","0.1491","","","","","","1.019","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520440","13.159","0.005","12.065","0.004","15.082","0.006","90","","98.075","0.014","90","","2370.7","1.5","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26.14 H22.79 B Cl0.79 F2 N3 O3.24 -","- C26.14 H22.794 B Cl0.794 F2 N3 O3.241 -","- C104.56 H91.176 B4 Cl3.176 F8 N12 O12.964 -","4","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.068","0.0577","","","0.154","0.1681","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520441","15.429","0.002","41.602","0.007","24.49","0.004","90","","91.209","0.006","90","","15716","4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C707 H656 B16 F32 N48 O9 -","- C706.992 H656 B16 F32 N48 O9 -","- C706.992 H656 B16 F32 N48 O9 -","1","0.25","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.171","0.1213","","","0.2993","0.3481","","","","","","1.104","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520442","33.021","0.012","10.588","0.004","23.034","0.008","90","","132.89","0.005","90","","5900","4","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.79 H27.57 B Cl1.57 F2 N3 -","- C35.7854 H27.5708 B Cl1.5708 F2 N3 -","- C286.283 H220.566 B8 Cl12.5664 F16 N24 -","8","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.0714","0.061","","","0.1708","0.185","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520443","7.3425","0.0014","11.0127","0.0016","15.884","0.003","94.772","0.004","97.467","0.007","91.375","0.01","1268.3","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 B Cl2 F2 N3 -","- C32 H24 B Cl2 F2 N3 -","- C64 H48 B2 Cl4 F4 N6 -","2","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.0314","0.0294","","","0.0856","0.0868","","","","","","1.093","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520444","8.0911","0.0018","21.853","0.005","25.007","0.006","90","","97.291","0.006","90","","4385.9","1.8","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.45 H44.9 B Cl2.9 F2 N3 -","- C50.45 H44.9 B Cl2.9 F2 N3 -","- C201.8 H179.6 B4 Cl11.6 F8 N12 -","4","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.1108","0.0935","","","0.2579","0.2764","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520445","9.594","0.002","8.7428","0.0017","21.526","0.006","90","","100.795","0.008","90","","1773.6","0.7","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 B F2 N3 -","- C23 H18 B F2 N3 -","- C92 H72 B4 F8 N12 -","4","1","","Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi","Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties.","Organic letters","2015","17","12","3090","3093","10.1021/acs.orglett.5b01363","","","1.54187","CuKα","","0.0329","0.0314","","","0.0858","0.0876","","","","","","1","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520446","18.773","0.002","7.8448","0.0005","20.3148","0.0019","90","","90","","90","","2991.8","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H15 N O2 S2 -","- C16 H15 N O2 S2 -","- C128 H120 N8 O16 S16 -","8","2","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","0.71073","MoKα","","0.1094","0.0928","","","0.2179","0.2402","","","","","","1.086","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520447","15.7817","0.0019","13.0488","0.0012","7.2719","0.0007","90","","92.391","0.009","90","","1496.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F N O2 S2 -","- C16 H14 F N O2 S2 -","- C64 H56 F4 N4 O8 S8 -","4","1","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","0.71073","MoKα","","0.1406","0.1243","","","0.3279","0.3357","","","","","","1.172","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520448","9.7686","0.0008","10.4236","0.001","16.0412","0.0015","90.974","0.008","91.846","0.007","107.681","0.008","1554.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O3 S2 -","- C16 H15 N O3 S2 -","- C64 H60 N4 O12 S8 -","4","2","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","0.71073","MoKα","","0.0745","0.0465","","","0.0916","0.104","","","","","","1.031","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520449","7.38023","0.00019","12.875","0.0003","31.8273","0.0008","90","","90","","90","","3024.24","0.13","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O2 S Se -","- C16 H15 N O2 S Se -","- C128 H120 N8 O16 S8 Se8 -","8","1","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","1.54184","CuKα","","0.0425","0.0404","","","0.1104","0.1125","","","","","","1.092","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520450","6.63588","0.00015","12.9255","0.0003","19.0476","0.0004","90","","93.665","0.002","90","","1630.41","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O2 S2 -","- C17 H17 N O2 S2 -","- C68 H68 N4 O8 S8 -","4","1","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","1.54184","CuKα","","0.0415","0.0391","","","0.1054","0.1076","","","","","","1.046","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520451","12.149","0.004","7.34","0.003","16.53","0.006","90","","101.456","0.004","90","","1444.7","0.9","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 N2 -","- C40 H32 N2 -","- C80 H64 N4 -","2","0.5","","Xu, Feng; Peng, Lifen; Shinohara, Kenta; Nishida, Takanori; Wakamatsu, Kan; Uejima, Motoyuki; Sato, Tohru; Tanaka, Kazuyoshi; Machida, Norihiko; Akashi, Haruo; Orita, Akihiro; Otera, Junzo","One-Shot Double Amination of Sondheimer-Wong Diynes: Synthesis of Photoluminescent Dinaphthopentalenes.","Organic letters","2015","17","12","3014","3017","10.1021/acs.orglett.5b01293","","","0.71075","MoKα","","","0.0458","","","","0.1068","","","","","","0.935","","","","has coordinates","140274","2020-10-21","18:00:00",""
"1520491","11.2497","0.0008","12.373","0.0009","20.0241","0.0015","95.185","0.002","106.067","0.002","94.622","0.002","2651.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H74 N4 O4 -","- C60 H74 N4 O4 -","- C120 H148 N8 O8 -","2","1","","Xia, Debin; Marszalek, Tomasz; Li, Mengmeng; Guo, Xin; Baumgarten, Martin; Pisula, Wojciech; Müllen, Klaus","Solution-Processable n-Type Organic Semiconductors Based on Angular-Shaped 2-(12H-Dibenzofluoren-12-ylidene)malononitrilediimide.","Organic letters","2015","17","12","3074","3077","10.1021/acs.orglett.5b01343","","","0.71073","MoKα","","0.3286","0.1263","","","0.3364","0.4384","","","","","","1.018","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520504","10.699","0.001","11.726","0.0011","22.2683","0.0012","94.284","0.006","101.795","0.006","109.369","0.008","2549","0.4","291.64","0.1","291.64","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 I N O -","- C20 H16 I N O -","- C120 H96 I6 N6 O6 -","6","3","","Wang, Jia; Zhu, Hai-Tao; Qiu, Yi-Feng; Niu, Yuan; Chen, Si; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min","Facile Synthesis of Carbazoles via a Tandem Iodocyclization with 1,2-Alkyl Migration and Aromatization.","Organic letters","2015","17","12","3186","3189","10.1021/acs.orglett.5b01590","","","0.71073","MoKα","","0.1024","0.0555","","","0.1157","0.1481","","","","","","1.032","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520505","7.2355","0.0005","20.9295","0.0019","23.0167","0.0015","90","","90","","90","","3485.5","0.5","293.1","0.12","293.1","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 I N O -","- C20 H16 I N O -","- C160 H128 I8 N8 O8 -","8","1","","Wang, Jia; Zhu, Hai-Tao; Qiu, Yi-Feng; Niu, Yuan; Chen, Si; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min","Facile Synthesis of Carbazoles via a Tandem Iodocyclization with 1,2-Alkyl Migration and Aromatization.","Organic letters","2015","17","12","3186","3189","10.1021/acs.orglett.5b01590","","x-ray","0.71073","MoKα","","0.1076","0.0639","","","0.1407","0.1839","","","","","","1.032","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520513","7.4014","0.0009","30.606","0.004","7.739","0.001","90","","100.806","0.003","90","","1722","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 -","- C24 H24 -","- C96 H96 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0751","0.0478","","","0.1081","0.12","","","","","","1.04","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520514","11.2988","0.0018","5.7063","0.0009","14.045","0.002","90","","102.129","0.004","90","","885.3","0.2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H24 O4 S -","- C20 H24 O4 S -","- C40 H48 O8 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0292","0.0275","","","0.0662","0.067","","","","","","1.042","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520515","22.419","0.008","52.094","0.018","7.523","0.003","90","","90","","90","","8786","6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C25 H29 N O5 S -","- C25 H29 N O5 S -","- C400 H464 N16 O80 S16 -","16","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0948","0.0663","","","0.1327","0.1413","","","","","","1.099","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520516","30.166","0.004","11.6914","0.0015","14.2065","0.0018","90","","113.297","0.003","90","","4601.9","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 N O5 S -","- C25 H29 N O5 S -","- C200 H232 N8 O40 S8 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0591","0.039","","","0.0971","0.1075","","","","","","1.022","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520517","8.4903","0.001","9.6656","0.0011","18.663","0.002","90","","90","","90","","1531.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F O -","- C19 H19 F O -","- C76 H76 F4 O4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0455","0.0346","","","0.0738","0.0781","","","","","","1.034","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520518","31.617","0.014","15.428","0.007","14.478","0.006","90","","101.899","0.005","90","","6910","5","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H41 N3 O4 -","- C43 H41 N3 O4 -","- C344 H328 N24 O32 -","8","2","","Zhang, Feng-Lian; Zhu, Xu; Chiba, Shunsuke","Tf~2~NH-Catalyzed Amide Synthesis from Vinyl Azides and Alcohols","Organic Letters","2015","17","12","3138","3141","10.1021/acs.orglett.5b01458","","","0.71073","MoKα","","0.1227","0.0834","","","0.2157","0.2538","","","","","","1.045","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520519","7.9023","0.0018","12.49","0.003","12.9","0.003","90","","90","","90","","1273.2","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N O4 -","- C13 H12 Cl N O4 -","- C52 H48 Cl4 N4 O16 -","4","1","","Sekikawa, Tohru; Kitaguchi, Takayuki; Kitaura, Hayato; Minami, Tatsuya; Hatanaka, Yasuo","Catalytic Activity of epi-Quinine-Derived 3,5-Bis(trifluoromethyl)benzamide in Asymmetric Nitro-Michael Reaction of Furanones.","Organic letters","2015","17","12","3026","3029","10.1021/acs.orglett.5b01224","","","0.7107","MoKα","","0.0474","0.0431","","","0.0847","0.0865","","","","","","1.146","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520520","8.745","0.003","10.225","0.003","20.19","0.008","89.48","0.02","86.38","0.02","65.669","0.014","1641.4","1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H40 B F2 N3 O4 -","- C39 H40 B F2 N3 O4 -","- C78 H80 B2 F4 N6 O8 -","2","1","","Hiruta, Yuki; Koiso, Hikaru; Ozawa, Hitoshi; Sato, Hiroyasu; Hamada, Kensaku; Yabushita, Satoshi; Citterio, Daniel; Suzuki, Koji","Near IR Emitting Red-Shifting Ratiometric Fluorophores Based on Borondipyrromethene.","Organic letters","2015","17","12","3022","3025","10.1021/acs.orglett.5b01299","","","0.71075","MoKα","","0.1093","0.049","","","0.1009","0.1242","","","","","","0.984","","","","has coordinates","140273","2020-10-21","18:00:00",""
"1520521","8.776","0.002","10.567","0.003","19.225","0.006","84.193","0.008","82.204","0.007","69.585","0.006","1652.6","0.8","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H36.5 B Cl1.5 F2 N3 O4 -","- C37.5 H36.5 B Cl1.5 F2 N3 O4 -","- C75 H73 B2 Cl3 F4 N6 O8 -","2","1","","Hiruta, Yuki; Koiso, Hikaru; Ozawa, Hitoshi; Sato, Hiroyasu; Hamada, Kensaku; Yabushita, Satoshi; Citterio, Daniel; Suzuki, Koji","Near IR Emitting Red-Shifting Ratiometric Fluorophores Based on Borondipyrromethene.","Organic letters","2015","17","12","3022","3025","10.1021/acs.orglett.5b01299","","","0.71075","MoKα","","0.0875","0.0551","","","0.1257","0.149","","","","","","1.044","","","","has coordinates","140273","2020-10-21","18:00:00",""
"1520522","7.274","0.003","17.864","0.006","15.322","0.007","90","","100.332","0.016","90","","1958.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B2 N2 O2 -","- C46 H44 B2 N2 O2 -","- C92 H88 B4 N4 O4 -","2","0.5","","Kubota, Yasuhiro; Niwa, Takahiro; Jin, Jiye; Funabiki, Kazumasa; Matsui, Masaki","Synthesis, Absorption, and Electrochemical Properties of Quinoid-Type Bisboron Complexes with Highly Symmetrical Structures.","Organic letters","2015","17","12","3174","3177","10.1021/acs.orglett.5b01547","","","0.71075","MoKα","","0.1184","0.0679","","","0.1562","0.1889","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520523","7.054","0.0013","17.672","0.004","13.751","0.003","90","","96.406","0.009","90","","1703.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 B2 N2 O2 -","- C42 H36 B2 N2 O2 -","- C84 H72 B4 N4 O4 -","2","0.5","","Kubota, Yasuhiro; Niwa, Takahiro; Jin, Jiye; Funabiki, Kazumasa; Matsui, Masaki","Synthesis, Absorption, and Electrochemical Properties of Quinoid-Type Bisboron Complexes with Highly Symmetrical Structures.","Organic letters","2015","17","12","3174","3177","10.1021/acs.orglett.5b01547","","","0.71075","MoKα","","0.0807","0.0553","","","0.1381","0.1572","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520542","6.62144","0.00014","20.1343","0.0004","9.362","0.0002","90","","100.915","0.002","90","","1225.54","0.04","293.69","0.1","293.69","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H25 N O4 -","- C32 H25 N O4 -","- C64 H50 N2 O8 -","2","1","","Zhao, Shuai; Zhao, Yuan-Yuan; Lin, Jun-Bing; Xie, Ting; Liang, Yong-Min; Xu, Peng-Fei","Organocatalyzed Asymmetric Vinylogous Allylic-Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Olefinic Azlactones: Facile Access to Chiral Multifunctional α-Amino Acid Derivatives.","Organic letters","2015","17","13","3206","3209","10.1021/acs.orglett.5b01066","","x-ray","1.54184","CuKα","","0.0336","0.0312","","","0.0776","0.0796","","","","","","1.026","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520547","9.4128","0.0007","9.6074","0.0008","12.0794","0.0009","97.999","0.007","97.992","0.006","108.357","0.007","1007.08","0.15","180.01","0.1","180.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 S -","- C25 H24 S -","- C50 H48 S2 -","2","1","","Zhang, Hang; Wang, Bo; Yi, Heng; Zhang, Yan; Wang, Jianbo","Rh(II)-Catalyzed [2,3]-Sigmatropic Rearrangement of Sulfur Ylides Derived from Cyclopropenes and Sulfides.","Organic letters","2015","17","13","3322","3325","10.1021/acs.orglett.5b01542","","","0.7107","MoKα","","0.0659","0.0483","","","0.1219","0.1383","","","","","","1.067","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520552","15.3809","0.0006","11.5149","0.0006","17.7975","0.0008","90","","90.677","0.002","90","","3151.9","0.2","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 N12 -","- C36 H22 N12 -","- C144 H88 N48 -","4","1","","Saltsman, Irena; Goldberg, Israel; Gross, Zeev","Porphyrins and Corroles with 2,6-Pyrimidyl Substituents.","Organic letters","2015","17","13","3214","3217","10.1021/acs.orglett.5b01297","","","0.71073","MoKα","","0.0574","0.0451","","","0.1177","0.1231","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520553","21.689","0.004","29.869","0.005","10.7143","0.0019","90","","90","","90","","6941","2","110","2","110","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C35 H19 F4 N6 O2 P -","- C35 H19 F4 N6 O2 P -","- C280 H152 F32 N48 O16 P8 -","8","1","","Saltsman, Irena; Goldberg, Israel; Gross, Zeev","Porphyrins and Corroles with 2,6-Pyrimidyl Substituents.","Organic letters","2015","17","13","3214","3217","10.1021/acs.orglett.5b01297","","","0.71073","MoKα","","0.0984","0.063","","","0.1414","0.1542","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520554","12.3996","0.0011","15.4999","0.0013","21.5037","0.0019","90","","97.248","0.004","90","","4099.8","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 Co F4 N8 -","- C51 H33 Co F4 N8 -","- C204 H132 Co4 F16 N32 -","4","1","","Saltsman, Irena; Goldberg, Israel; Gross, Zeev","Porphyrins and Corroles with 2,6-Pyrimidyl Substituents.","Organic letters","2015","17","13","3214","3217","10.1021/acs.orglett.5b01297","","","0.71073","MoKα","","0.0442","0.033","","","0.0734","0.0783","","","","","","1.027","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520555","16.3504","0.0016","14.9527","0.0015","9.2389","0.0009","90","","92.387","0.005","90","","2256.8","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-di(4-pyridyl)naphthocyclobutane hydrobromide","cis-di(4-pyridyl)naphthocyclobutane hydrobromide","","- C24 H20 Br2 N2 -","- C24 H20 Br2 N2 -","- C96 H80 Br8 N8 -","4","0.5","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.0698","0.0606","","","0.1346","0.1375","","","","","","1.22","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520556","9.4274","0.0009","12.3411","0.0012","15.5934","0.0016","83.302","0.005","82.714","0.005","79.24","0.005","1759.9","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","DEPN","1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","2","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.2015","0.1283","","","0.3784","0.4149","","","","","","1.105","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520557","14.33","0.0015","10.8862","0.0011","17.8919","0.0018","90","","110.048","0.005","90","","2622","0.5","190","","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ag tosylate DEPN","Silver p-toluenesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene","","- C62 H50 Ag2 N4 O6 S2 -","- C62 H50 Ag2 N4 O6 S2 -","- C124 H100 Ag4 N8 O12 S4 -","2","0.5","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.0803","0.04","","","0.0898","0.1085","","","","","","0.93","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520558","10.3809","0.0011","10.9748","0.0011","11.0438","0.0012","109.43","0.005","98.185","0.005","97.328","0.005","1153.7","0.2","210","2","210","2","","","","","","","","7","P -1","-P 1","2","Ag triflate DEPN","Silver trifluoromethanesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene","","- C50 H36 Ag2 F6 N4 O6 S2 -","- C50 H36 Ag2 F6 N4 O6 S2 -","- C50 H36 Ag2 F6 N4 O6 S2 -","1","0.5","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.0377","0.0296","","","0.0818","0.0884","","","","","","0.988","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520559","10.4495","0.001","11.0503","0.0011","11.0576","0.0011","109.671","0.005","96.586","0.005","97.962","0.005","1172.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Ag triflate DEPN","Silver trifluoromethanesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene","","- C50 H36 Ag2 F6 N4 O6 S2 -","- C50 H36 Ag2 F6 N4 O6 S2 -","- C50 H36 Ag2 F6 N4 O6 S2 -","1","0.5","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.0432","0.0323","","","0.0762","0.0822","","","","","","1.129","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520560","14.369","0.003","10.925","0.002","18.106","0.004","90","","110.574","0.005","90","","2661","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ag tosylate DEPN","Silver p-toluenesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene","","- C62 H50 Ag2 N4 O6 S2 -","- C62 H50 Ag2 N4 O6 S2 -","- C124 H100 Ag4 N8 O12 S4 -","2","0.5","","Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.","Organic letters","2015","17","13","3233","3235","10.1021/acs.orglett.5b00527","","","0.71073","MoKα","","0.1674","0.0657","","","0.1428","0.196","","","","","","0.903","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520561","11.2709","0.0006","11.7647","0.0006","20.1194","0.0009","88.271","0.004","83.035","0.003","86.352","0.004","2642.1","0.2","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H58 F6 O14 S2 -","- C51 H58 F6 O14 S2 -","- C102 H116 F12 O28 S4 -","2","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","1.54178","CuKα","","0.1483","0.096","","","0.2518","0.2897","","","","","","1.075","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520562","11.616","0.0003","18.2419","0.0005","11.617","0.0003","90","","94.1589","0.0015","90","","2455.14","0.11","100","2","99.98","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C46 H46 Cl2 F6 O14 S2 -","- C46 H46 Cl2 F6 O14 S2 -","- C92 H92 Cl4 F12 O28 S4 -","2","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","1.54178","CuKα","","0.0484","0.0471","","","0.1249","0.1264","","","","","","1.041","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520563","35.9931","0.0011","12.0648","0.0004","11.369","0.0004","90","","90","","90","","4937","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48.75 H55.04 Cl2.25 F3 O12 S -","- C48.747 H54.93 Cl2.252 F3 O12 S -","- C194.988 H219.72 Cl9.008 F12 O48 S4 -","4","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","1.54178","CuKα","","0.0752","0.075","","","0.2026","0.2029","","","","","","1.156","","","","has coordinates,has disorder","140261","2020-10-21","18:00:00",""
"1520564","11.3045","0.0007","12.1357","0.0007","37.187","0.002","90","","90","","90","","5101.6","0.5","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H58 F6 O14 S2 -","- C51 H58 F6 O14 S2 -","- C204 H232 F24 O56 S8 -","4","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","0.71073","MoKα","","0.0713","0.0536","","","0.123","0.1318","","","","","","1.047","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520565","22.0373","0.001","11.9982","0.0005","22.7155","0.001","90","","110.288","0.003","90","","5633.5","0.4","100","2","100.08","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H55 F9 O16 S3 -","- C51 H55 F9 O16 S3 -","- C204 H220 F36 O64 S12 -","4","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","1.54178","CuKα","","0.1054","0.0854","","","0.2322","0.2482","","","","","","1.041","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520566","20.6289","0.0011","22.2856","0.0013","24.1696","0.0014","90","","90","","90","","11111.4","1.1","100","2","99.96","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H55 F9 O16 S3 -","- C51 H55 F9 O16 S3 -","- C408 H440 F72 O128 S24 -","8","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","0.71073","MoKα","","0.1801","0.1169","","","0.3006","0.3487","","","","","","1.093","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520573","6.1669","0.0002","12.182","0.0003","17.8605","0.0006","90","","90","","90","","1341.77","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,5-dimethyl-2-phenyl-4-(thiophen-2-yl)pyridine","","- C17 H15 N S -","- C17 H15 N S -","- C68 H60 N4 S4 -","4","1","","Hardegger, Leo A.; Habegger, Jacqueline; Donohoe, Timothy J.","Modular Synthesis of Highly Substituted Pyridines via Enolate α-Alkenylation.","Organic letters","2015","17","13","3222","3225","10.1021/acs.orglett.5b01312","","","1.5418","CuKα","","0.0368","0.0339","","0.088","0.0854","0.088","","","","","","0.9323","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520574","7.4565","0.0001","18.3137","0.0002","20.6855","0.0003","90","","90","","90","","2824.73","0.06","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-methoxyphenyl)-3-methyl-2-phenylpyridine","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Hardegger, Leo A.; Habegger, Jacqueline; Donohoe, Timothy J.","Modular Synthesis of Highly Substituted Pyridines via Enolate α-Alkenylation.","Organic letters","2015","17","13","3222","3225","10.1021/acs.orglett.5b01312","","","0.71073","MoKα","","0.0604","0.0421","","0.1211","0.102","0.1211","","","","","","0.9741","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520575","9.7773","0.0002","6.90436","0.00013","9.79548","0.00019","90","","98.985","0.002","90","","653.14","0.02","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C16 H15 N3 -","- C16 H15 N3 -","- C32 H30 N6 -","2","0.5","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","The Aryne aza-Diels-Alder Reaction: Flexible Syntheses of Isoquinolines.","Organic letters","2015","17","13","3374","3377","10.1021/acs.orglett.5b01704","","x-ray","1.54184","CuKα","","0.0563","0.0555","","","0.1358","0.1373","","","","","","1.123","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520576","14.0946","0.0002","11.4421","0.0002","9.74761","0.00017","90","","99.2056","0.0017","90","","1551.77","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 -","- C21 H15 N3 -","- C84 H60 N12 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","The Aryne aza-Diels-Alder Reaction: Flexible Syntheses of Isoquinolines.","Organic letters","2015","17","13","3374","3377","10.1021/acs.orglett.5b01704","","x-ray","1.54184","CuKα","","0.0479","0.0421","","","0.1084","0.1158","","","","","","1.018","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520577","10.1756","0.0004","12.2477","0.0005","13.4918","0.0006","90","","90","","90","","1681.45","0.12","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Teotihuacanin","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Bautista, Elihú; Fragoso-Serrano, Mabel; Toscano, Rubén A; García-Peña, María Del Rosario; Ortega, Alfredo","Teotihuacanin, a Diterpene with an Unusual Spiro-10/6 System from Salvia amarissima with Potent Modulatory Activity of Multidrug Resistance in Cancer Cells.","Organic letters","2015","17","13","3280","3282","10.1021/acs.orglett.5b01320","","","1.54178","CuKα","","0.0525","0.0421","","","0.1006","0.1066","","","","","","1.062","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520614","9.4141","0.0007","23.293","0.0014","9.0609","0.0006","90","","92.942","0.003","90","","1984.3","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(benzyl(3-((4-methoxyphenyl)ethynyl)oxetan-3-yl)amino)phenol","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Brady, Patrick B.; Carreira, Erick M.","Addition of Trifluoroborates to Oxetanyl N,O-Acetals: Entry into Spiro and Fused Saturated Heterocycles.","Organic letters","2015","17","13","3350","3353","10.1021/acs.orglett.5b01607","","x-ray","0.71073","MoKα","","0.0479","0.0388","","","0.0926","0.0987","","","","","","1.029","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520615","8.0166","0.0006","15.8594","0.0012","11.2674","0.0009","90","","98.788","0.002","90","","1415.7","0.19","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Brady, Patrick B.; Carreira, Erick M.","Addition of Trifluoroborates to Oxetanyl N,O-Acetals: Entry into Spiro and Fused Saturated Heterocycles.","Organic letters","2015","17","13","3350","3353","10.1021/acs.orglett.5b01607","","x-ray","0.71073","MoKα","","0.0523","0.0434","","","0.1039","0.109","","","","","","1.035","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520616","11.364","0.005","10.93","0.005","24.447","0.005","90","0.005","96.564","0.005","90","0.005","3017","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 N O5 -","- C37 H31 N O5 -","- C148 H124 N4 O20 -","4","1","","Mo, Lei; Wu, Lin-Lin; Wang, Shaozhong; Yao, Zhu-Jun","Efficient Synthesis of Octahydrophenanthrene Derivatives with Mild Cascade Reactions of Isochromenylium Tetrafluoroborates and Bifunctional Styrenes.","Organic letters","2015","17","13","3314","3317","10.1021/acs.orglett.5b01532","","","0.71069","MoKα","","0.0763","0.0453","","","0.1321","0.1617","","","","","","0.928","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520633","11.7745","0.0002","15.3391","0.0003","24.3582","0.0004","90","","90","","90","","4399.34","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","CWS-621","","","- C22 H21 Br N2 O3 S2 -","- C22 H21 Br N2 O3 S2 -","- C176 H168 Br8 N16 O24 S16 -","8","1","","Choi, Wonseok; Kim, Jaeeun; Ryu, Taekyu; Kim, Ki-Bbeum; Lee, Phil Ho","Synthesis of N-Imidoyl and N-Oxoimidoyl Sulfoximines from 1-Alkynes, N-Sulfonyl Azides, and Sulfoximines.","Organic letters","2015","17","13","3330","3333","10.1021/acs.orglett.5b01553","","","0.71073","","","0.055","0.0357","","","0.079","0.0874","","","","","","1.033","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520634","9.0038","0.0002","10.66","0.0002","11.8108","0.0003","75.2664","0.0011","76.0323","0.0011","75.5364","0.0011","1042.26","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","KJE-831","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C44 H40 N4 O8 S4 -","2","1","","Choi, Wonseok; Kim, Jaeeun; Ryu, Taekyu; Kim, Ki-Bbeum; Lee, Phil Ho","Synthesis of N-Imidoyl and N-Oxoimidoyl Sulfoximines from 1-Alkynes, N-Sulfonyl Azides, and Sulfoximines.","Organic letters","2015","17","13","3330","3333","10.1021/acs.orglett.5b01553","","","0.71073","","","0.1794","0.128","","","0.3275","0.3916","","","","","","1.344","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520635","7.37176","0.00017","14.7771","0.0003","21.8173","0.0005","90","","90","","90","","2376.63","0.09","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O3 -","- C30 H29 N O3 -","- C120 H116 N4 O12 -","4","1","","Majumdar, Nilanjana; Saito, Akira; Yin, Liang; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Conjugate Addition of Saturated and Unsaturated Thioamides.","Organic letters","2015","17","13","3362","3365","10.1021/acs.orglett.5b01644","","","1.54187","CuKα","","0.0411","0.0358","","","0.0821","0.0848","","","","","","1.081","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520636","10.39896","0.00019","9.11807","0.00017","13.7409","0.0003","90","","108.291","0.008","90","","1237.06","0.07","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 S2 -","- C29 H32 N2 S2 -","- C58 H64 N4 S4 -","2","1","","Majumdar, Nilanjana; Saito, Akira; Yin, Liang; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Conjugate Addition of Saturated and Unsaturated Thioamides.","Organic letters","2015","17","13","3362","3365","10.1021/acs.orglett.5b01644","","","1.54187","CuKα","","0.0334","0.0313","","","0.0839","0.0911","","","","","","1.11","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520637","12.0845","0.0012","5.9453","0.0006","22.597","0.002","90","","103.246","0.0016","90","","1580.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F O2 -","- C21 H15 F O2 -","- C84 H60 F4 O8 -","4","1","","Du, Xiang-Wei; Stanley, Levi M.","Tandem Alkyne Hydroacylation and Oxo-Michael Addition: Diastereoselective Synthesis of 2,3-Disubstituted Chroman-4-ones and Fluorinated Derivatives.","Organic letters","2015","17","13","3276","3279","10.1021/acs.orglett.5b01447","","","0.71073","MoKα","","0.0597","0.0446","","","0.1187","0.1309","","","","","","1.001","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520655","9.2692","0.0007","9.7098","0.0007","34.752","0.003","90","","92.266","0.001","90","","3125.3","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 O5 Si2 -","- C32 H38 O5 Si2 -","- C128 H152 O20 Si8 -","4","1","","Zimmerman, Jake R.; Johntony, Olivia; Steigerwald, Daniel; Criss, Cody; Myers, Brian J.; Kinder, David H.","The Synthesis of a New Class of Highly Fluorescent Chromones via an Inverse-Demand Hetero-Diels-Alder Reaction.","Organic letters","2015","17","13","3256","3259","10.1021/acs.orglett.5b01417","","","0.71073","MoKα","","0.0631","0.0429","","","0.0984","0.1091","","","","","","1.028","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520656","6.9648","0.001","7.7685","0.0011","14.728","0.002","76.228","0.002","76.658","0.002","84.002","0.002","752.04","0.18","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 Cl O5 -","- C16 H17 Cl O5 -","- C32 H34 Cl2 O10 -","2","1","","Zimmerman, Jake R.; Johntony, Olivia; Steigerwald, Daniel; Criss, Cody; Myers, Brian J.; Kinder, David H.","The Synthesis of a New Class of Highly Fluorescent Chromones via an Inverse-Demand Hetero-Diels-Alder Reaction.","Organic letters","2015","17","13","3256","3259","10.1021/acs.orglett.5b01417","","x-ray","0.71073","MoKα","","0.0551","0.0399","","","0.095","0.1039","","","","","","1.096","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520657","5.6762","0.0006","10.5443","0.0011","14.1611","0.0014","90","","100.294","0.004","90","","833.92","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O5 -","- C18 H17 Br O5 -","- C36 H34 Br2 O10 -","2","1","","Sinha, Debarshi; Biswas, Arnab; Singh, Vinod K.","Chiral Phosphine-Silver(I) Complex Catalyzed Enantioselective Interrupted Feist-Bénary Reaction with Ynones: The Aldol-Cycloisomerization Cascade.","Organic letters","2015","17","13","3302","3305","10.1021/acs.orglett.5b01468","","","0.71073","MoKα","","0.0872","0.0518","","","0.1107","0.1256","","","","","","0.904","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520658","5.8624","0.0001","9.6327","0.0002","31.868","0.0006","90","","90","","90","","1799.61","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C76 H80 N8 O24 -","4","1","","Chen, Shi; Ibrahim, Ahmad A.; Mondal, Mukulesh; Magee, Anthony J.; Cruz, Adam J.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Asymmetric Synthesis of Deoxypropionate Derivatives via Catalytic Hydrogenolysis of Enantioenriched Z-Ketene Heterodimers.","Organic letters","2015","17","13","3248","3251","10.1021/acs.orglett.5b01391","","","1.54178","CuKα","","0.0476","0.04","","","0.0965","0.1003","","","","","","1.056","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520659","13.1915","0.0004","9.4009","0.0003","22.0383","0.0006","90","","106.275","0.001","90","","2623.49","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl2 I2 Si2 -","- C22 H26 Cl2 I2 Si2 -","- C88 H104 Cl8 I8 Si8 -","4","1","","Sproul, Kyle C.; Chalifoux, Wesley A.","Highly Regio- and Diastereoselective Formation of Tetrasubstituted (Z)-1,2-Dihaloalkenes from the Halogenation of Trimethylsilyl Alkynes with ICl.","Organic letters","2015","17","13","3334","3337","10.1021/acs.orglett.5b01558","","","0.71073","MoKα","","0.0198","0.0183","","","0.044","0.0446","","","","","","1.087","","","","has coordinates","152908","2020-10-21","18:00:00",""
"1520660","9.0806","0.0004","15.5457","0.0006","23.2185","0.0009","90","","90","","90","","3277.6","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5","","","- C16 H10 Cl2 I2 -","- C16 H10 Cl2 I2 -","- C128 H80 Cl16 I16 -","8","1","","Sproul, Kyle C.; Chalifoux, Wesley A.","Highly Regio- and Diastereoselective Formation of Tetrasubstituted (Z)-1,2-Dihaloalkenes from the Halogenation of Trimethylsilyl Alkynes with ICl.","Organic letters","2015","17","13","3334","3337","10.1021/acs.orglett.5b01558","","","0.71073","MoKα","","0.0277","0.0255","","","0.0608","0.0617","","","","","","1.174","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520682","10.4761","0.0005","10.8361","0.0002","11.3358","0.0006","76.911","0.001","61.867","0.001","86.563","0.002","1103.68","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 N3 O5 S -","- C26 H19 N3 O5 S -","- C52 H38 N6 O10 S2 -","2","1","","Rao, Wei-Hao; Zhan, Bei-Bei; Chen, Kai; Ling, Peng-Xiang; Zhang, Zhuo-Zhuo; Shi, Bing-Feng","Pd(II)-Catalyzed Direct Sulfonylation of Unactivated C(sp(3))-H Bonds with Sodium Sulfinates.","Organic letters","2015","17","14","3552","3555","10.1021/acs.orglett.5b01634","","","0.71073","MoKα","","0.0544","0.041","","","0.0998","0.1077","","","","","","1.002","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520683","10.868","0.0008","6.8325","0.0006","12.6102","0.001","90","","103.793","0.005","90","","909.38","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","REJIII-035E2","sarpong111","","- C20 H24 Cl N3 O -","- C20 H24 Cl N3 O -","- C40 H48 Cl2 N6 O2 -","2","1","","Johnson, Rebecca E.; de Rond, Tristan; Lindsay, Vincent N. G.; Keasling, Jay D.; Sarpong, Richmond","Synthesis of Cycloprodigiosin Identifies the Natural Isolate as a Scalemic Mixture.","Organic letters","2015","17","14","3474","3477","10.1021/acs.orglett.5b01527","","","1.54178","CuKα","","0.0562","0.0467","","","0.1104","0.1169","","","","","","1.047","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520684","28.508","0.002","5.4891","0.0004","8.1976","0.0007","90","","90","","90","","1282.79","0.17","147","2","147","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H17 Cl O3 -","- C13 H17 Cl O3 -","- C52 H68 Cl4 O12 -","4","1","","Tanveer, Kashif; Jarrah, Kareem; Taylor, Mark S.","Borinic Acid Catalyzed, Regioselective Chloroacylations and Chlorosulfonylations of 2,3-Epoxy Alcohols.","Organic letters","2015","17","14","3482","3485","10.1021/acs.orglett.5b01541","","","0.71073","MoKα","","0.0594","0.0445","","","0.0831","0.0885","","","","","","1.039","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520685","15.5081","0.0014","11.7102","0.0009","20.245","0.002","90","","90","","90","","3676.6","0.6","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Cl O4 -","- C21 H21 Cl O4 -","- C168 H168 Cl8 O32 -","8","1","","Tanveer, Kashif; Jarrah, Kareem; Taylor, Mark S.","Borinic Acid Catalyzed, Regioselective Chloroacylations and Chlorosulfonylations of 2,3-Epoxy Alcohols.","Organic letters","2015","17","14","3482","3485","10.1021/acs.orglett.5b01541","","","0.71073","MoKα","","0.1068","0.0502","","","0.0832","0.0996","","","","","","0.999","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520686","10.7946","0.0006","12.4093","0.0006","13.1553","0.0007","76.627","0.005","68.739","0.005","81.216","0.004","1593.12","0.16","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N2 O6 S2 -","- C33 H30 N2 O6 S2 -","- C66 H60 N4 O12 S4 -","2","1","","Yan, Xiaonan; Ling, Fei; Zhang, Yuchen; Ma, Cheng","Three-Component Functionalized Dihydropyridine Synthesis via a Formal Inverse Electron-Demand Hetero-Diels-Alder Reaction.","Organic letters","2015","17","14","3536","3539","10.1021/acs.orglett.5b01622","","","0.71073","MoKα","","0.0532","0.042","","","0.1168","0.1237","","","","","","1.055","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520694","11.319","0.003","12.665","0.003","14.597","0.003","86.284","0.004","86.306","0.004","68.207","0.003","1937.1","0.8","133","","133","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N3 O13 -","- C33 H27 N3 O13 -","- C66 H54 N6 O26 -","2","1","","Chen, Ji-Peng; He, Wei; Yang, Zhen-Yu; Yao, Zhu-Jun","Synthesis of Tricyclo[4,3,1,0(1,5)]decane Core of Plumisclerin A Using Pauson-Khand Annulation and SmI2-Mediated Radical Cyclization.","Organic letters","2015","17","14","3379","3381","10.1021/acs.orglett.5b01563","","","0.71073","MoKα","","0.0917","0.0739","","","0.2084","0.2246","","","","","","1.053","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520702","19.8643","0.0006","9.0349","0.0002","24.8875","0.0007","90","","106.793","0.002","90","","4276.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N8 O3 Ti2 -","- C41 H60 N8 O3 Ti2 -","- C164 H240 N32 O12 Ti8 -","4","1","","Chen, Zhou; Liu, Jinna; Pei, Hao; Liu, Wei; Chen, Yanmei; Wu, Jian; Li, Wu; Li, Yahong","Directed Amination of Aryl Methyl Ethers Mediated by Ti(NMe2)4 at Room Temperature.","Organic letters","2015","17","14","3406","3409","10.1021/acs.orglett.5b01229","","","0.71073","MoKα","","0.1046","0.0552","","","0.1262","0.1492","","","","","","1.016","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520703","19.976","0.004","20.518","0.004","21.236","0.004","89.583","0.005","78.919","0.005","76.303","0.005","8292","3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C163 H221 N28 O13 Ti4 -","- C163 H221 N28 O13 Ti4 -","- C326 H442 N56 O26 Ti8 -","2","1","","Chen, Zhou; Liu, Jinna; Pei, Hao; Liu, Wei; Chen, Yanmei; Wu, Jian; Li, Wu; Li, Yahong","Directed Amination of Aryl Methyl Ethers Mediated by Ti(NMe2)4 at Room Temperature.","Organic letters","2015","17","14","3406","3409","10.1021/acs.orglett.5b01229","","","0.71073","MoKα","","0.1963","0.1169","","","0.3106","0.3742","","","","","","1.024","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520704","11.7148","0.0005","11.8534","0.0005","14.1205","0.0006","110","0.003","95.83","0.003","100.677","0.003","1781.51","0.14","105","","105","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","2","","Dörr, Aurélie A; Lubell, William D.","γ-Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate.","Organic letters","2015","17","14","3592","3595","10.1021/acs.orglett.5b01679","","x-ray","1.34139","GaKα","","0.1461","0.0847","","","0.2272","0.2672","","","","","","1.031","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520705","17.651","0.0003","15.5231","0.0003","13.7865","0.0003","90","","90","","90","","3777.48","0.13","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C176 H176 N16 O24 -","8","2","","Dörr, Aurélie A; Lubell, William D.","γ-Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate.","Organic letters","2015","17","14","3592","3595","10.1021/acs.orglett.5b01679","","x-ray","1.54178","CuKα","","0.0345","0.0342","","","0.0932","0.0936","","","","","","1.042","","","","has coordinates,has disorder","301777","2025-08-18","15:08:07",""
"1520706","15.2406","0.0006","5.6664","0.0002","20.6863","0.0009","90","","94.254","0.002","90","","1781.53","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Dörr, Aurélie A; Lubell, William D.","γ-Turn Mimicry with Benzodiazepinones and Pyrrolobenzodiazepinones Synthesized from a Common Amino Ketone Intermediate.","Organic letters","2015","17","14","3592","3595","10.1021/acs.orglett.5b01679","","x-ray","1.54178","CuKα","","0.0455","0.0377","","","0.1006","0.1064","","","","","","1.042","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520707","8.7215","0.0006","11.3257","0.0008","19.217","0.001","90","","90","","90","","1898.2","0.2","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O8 -","- C20 H23 N O8 -","- C80 H92 N4 O32 -","4","1","","Paladino, Marco; Zaifman, Joshua; Ciufolini, Marco A.","Total Synthesis of (+)-3-Demethoxyerythratidinone and (+)-Erysotramidine via the Oxidative Amidation of a Phenol.","Organic letters","2015","17","14","3422","3425","10.1021/acs.orglett.5b01423","","","1.54178","CuKα","","0.0277","0.0269","","","0.0672","0.068","","","","","","1.072","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520708","11.4762","0.0003","7.95324","0.00015","16.5869","0.0005","90","","107.894","0.003","90","","1440.7","0.07","294.39","0.1","294.39","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","","Wang, Qi; Tang, Xuli; Luo, Xiangchao; de Voogd, Nicole J.; Li, Pinglin; Li, Guoqiang","(+)- and (-)-Spiroreticulatine, A Pair of Unusual Spiro Bisheterocyclic Quinoline-imidazole Alkaloids from the South China Sea Sponge Fascaplysinopsis reticulata.","Organic letters","2015","17","14","3458","3461","10.1021/acs.orglett.5b01503","","","1.54184","CuKα","","0.0495","0.0473","","","0.129","0.1317","","","","","","1.065","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520726","21.512","0.01","10.424","0.005","40.881","0.018","90","","90","","90","","9167","7","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H42 F6 N6 O7 S2 -","- C44 H42 F6 N6 O7 S2 -","- C352 H336 F48 N48 O56 S16 -","8","1","","Zhu, Chuan-Le; Yang, Li-Jun; Li, Shen; Zheng, Yan; Ma, Jun-An","Brine-Stabilized 2,2,2-Trifluorodiazoethane and Its Application in the Synthesis of CF3-Substituted Cyclopropane α-Amino Acids.","Organic letters","2015","17","14","3442","3445","10.1021/acs.orglett.5b01450","","","0.71073","MoKα","","0.243","0.1095","","","0.231","0.2997","","","","","","1.071","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520727","8.882","0.006","10.743","0.009","14.629","0.013","87","0.03","76.43","0.03","65.66","0.02","1234.8","1.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 F3 N2 O3 -","- C28 H23 F3 N2 O3 -","- C56 H46 F6 N4 O6 -","2","1","","Zhu, Chuan-Le; Yang, Li-Jun; Li, Shen; Zheng, Yan; Ma, Jun-An","Brine-Stabilized 2,2,2-Trifluorodiazoethane and Its Application in the Synthesis of CF3-Substituted Cyclopropane α-Amino Acids.","Organic letters","2015","17","14","3442","3445","10.1021/acs.orglett.5b01450","","","0.71073","MoKα","","0.1119","0.0622","","","0.1536","0.1916","","","","","","1.05","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520728","10.3059","0.0007","20.6482","0.0013","25.5756","0.0017","90","","90","","90","","5442.4","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","QY614","Doyle-Quian QY614","","- C25 H34 N2 O9 Si -","- C25 H34 N2 O9 Si -","- C200 H272 N16 O72 Si8 -","8","1","","Cheng, Qing-Qing; Qian, Yu; Zavalij, Peter Y.; Doyle, Michael P.","Lewis Acid/Rhodium-Catalyzed Formal [3 + 3]-Cycloaddition of Enoldiazoacetates with Donor-Acceptor Cyclopropanes.","Organic letters","2015","17","14","3568","3571","10.1021/acs.orglett.5b01674","","","0.71073","MoKα","","0.0387","0.0329","","","0.0648","0.0666","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520729","6.6067","0.0003","19.709","0.001","9.7407","0.0005","90","","109.22","0.002","90","","1197.65","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H31 N O3 S2 -","- C25 H31 N O3 S2 -","- C50 H62 N2 O6 S4 -","2","1","","Fernández-Valparís, Javier; Romo, Juan Manuel; Romea, Pedro; Urpí, Fèlix; Kowalski, Hubert; Font-Bardia, Mercè","Stereoselective Alkylation of (S)-N-Acyl-4-isopropyl-1,3-thiazolidine-2-thiones Catalyzed by (Me3P)2NiCl2.","Organic letters","2015","17","14","3540","3543","10.1021/acs.orglett.5b01626","","","0.71073","MoKα","","0.0321","0.0293","","","0.0742","0.0762","","","","","","1.108","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520753","15.767","0.003","5.759","0.0012","15.721","0.003","90","","112.32","0.03","90","","1320.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 O2 S -","- C13 H13 Cl N2 O2 S -","- C52 H52 Cl4 N8 O8 S4 -","4","1","","Lu, Lei; Ma, Juan; Qu, Panpan; Li, Feng","Effective Recognition of Different Types of Amino Groups: From Aminobenzenesulfonamides to Amino-(N-alkyl)benzenesulfonamides via Iridium-Catalyzed N-Alkylation with Alcohols.","Organic letters","2015","17","10","2350","2353","10.1021/acs.orglett.5b00824","","","0.71073","MoKα","","0.0905","0.054","","","0.1473","0.168","","","","","","1.002","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520754","7.667","0.0006","8.7269","0.0006","17.0497","0.0013","88.1161","0.0018","89.15","0.002","62.1966","0.0018","1008.54","0.13","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O3 S2 -","- C23 H21 N O3 S2 -","- C46 H42 N2 O6 S4 -","2","1","","Miura, Tomoya; Funakoshi, Yuuta; Fujimoto, Yoshikazu; Nakahashi, Junki; Murakami, Masahiro","Facile synthesis of 2,5-disubstituted thiazoles from terminal alkynes, sulfonyl azides, and thionoesters.","Organic letters","2015","17","10","2454","2457","10.1021/acs.orglett.5b00960","","","0.71075","MoKα","","0.0862","0.0681","","","0.1743","0.1959","","","","","","1.129","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520755","52.579","0.011","21.835","0.004","29.598","0.006","90","","117.54","0.03","90","","30130","13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C270 H372 B6 N8 O30 -","- C270 H372 B6 N8 O30 -","- C1080 H1488 B24 N32 O120 -","4","0.5","","Danjo, Hiroshi; Kidena, Yuki; Kawahata, Masatoshi; Sato, Hiroyasu; Katagiri, Kosuke; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Multilayered inclusion nanocycles of anionic spiroborates.","Organic letters","2015","17","10","2466","2469","10.1021/acs.orglett.5b00974","","","0.8","synchrotron","","0.2913","0.1493","","","0.3772","0.4696","","","","","","1.179","","","","has coordinates,has disorder","140043","2020-10-21","18:00:00",""
"1520756","7.702","0.0001","13.1321","0.0002","27.4999","0.0019","90","","90","","90","","2781.4","0.2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 O4 Si2 -","- C28 H44 O4 Si2 -","- C112 H176 O16 Si8 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Luo, Tuoping; Yang, Zhen","Synthetic Progress toward Azadirachtins. 1. Enantio- and Diastereoselective Synthesis of the Left-Wing Fragment of 11-epi-Azadirachtin I.","Organic letters","2015","17","10","2342","2345","10.1021/acs.orglett.5b00829","","","1.54178","CuKα","","0.0375","0.0326","","","0.0727","0.0861","","","","","","1.143","","","","has coordinates","140044","2020-10-21","18:00:00",""
"1520757","17.7328","0.0009","8.7774","0.0004","13.0228","0.0007","90","","110.419","0.006","90","","1899.61","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O3 -","- C24 H20 O3 -","- C96 H80 O12 -","4","1","","Li, Mingliang; Yang, Yudong; Zhou, Danni; Wan, Danyang; You, Jingsong","Nickel-Catalyzed Addition-Type Alkenylation of Unactivated, Aliphatic C-H Bonds with Alkynes: A Concise Route to Polysubstituted γ-Butyrolactones.","Organic letters","2015","17","10","2546","2549","10.1021/acs.orglett.5b01128","","x-ray","0.71","MoKα","","0.0622","0.0571","","","0.1554","0.1641","","","","","","1.018","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520758","9.9044","0.001","11.8847","0.0011","11.9608","0.0011","60.57","0.005","81.21","0.006","75.803","0.005","1187.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H33 N O9 -","- C22 H33 N O9 -","- C44 H66 N2 O18 -","2","1","","Xu, Sanjia; Ciufolini, Marco A.","Formal Synthesis of (±)-Tetrodotoxin via the Oxidative Amidation of a Phenol: On the Structure of the Sato Lactone.","Organic letters","2015","17","10","2424","2427","10.1021/acs.orglett.5b00935","","x-ray","0.71073","MoKα","","0.0504","0.0383","","","0.0963","0.1033","","","","","","1.025","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520759","10.5221","0.0019","10.6666","0.0019","10.7161","0.0019","74.105","0.004","73.746","0.004","61.845","0.004","1003.6","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H27 N O10 -","- C19 H27 N O10 -","- C38 H54 N2 O20 -","2","1","","Xu, Sanjia; Ciufolini, Marco A.","Formal Synthesis of (±)-Tetrodotoxin via the Oxidative Amidation of a Phenol: On the Structure of the Sato Lactone.","Organic letters","2015","17","10","2424","2427","10.1021/acs.orglett.5b00935","","x-ray","0.71073","MoKα","","0.0642","0.0432","","","0.1043","0.1145","","","","","","1.014","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520760","8.1087","0.0006","11.9482","0.0009","20.232","0.0015","90","","90","","90","","1960.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O3 -","- C22 H36 O3 -","- C88 H144 O12 -","4","1","","Cheng, Shou-Ling; Jiang, Xiao-Ling; Shi, Yong; Tian, Wei-Sheng","Concise synthesis of the core structures of saundersiosides.","Organic letters","2015","17","10","2346","2349","10.1021/acs.orglett.5b00821","","","0.71073","MoKα","","0.0451","0.0412","","","0.102","0.1047","","","","","","1.05","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520761","7.3909","0.0007","12.9276","0.0012","25.254","0.002","90","","90","","90","","2412.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 O5 -","- C26 H40 O5 -","- C104 H160 O20 -","4","1","","Cheng, Shou-Ling; Jiang, Xiao-Ling; Shi, Yong; Tian, Wei-Sheng","Concise synthesis of the core structures of saundersiosides.","Organic letters","2015","17","10","2346","2349","10.1021/acs.orglett.5b00821","","","0.71073","MoKα","","0.0435","0.0405","","","0.1091","0.1126","","","","","","1.03","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520762","5.2667","0.0002","15.2534","0.0006","20.3019","0.0008","90","","90","","90","","1630.95","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Lin, Cheng-Wei; Hong, Bor-Cherng; Chang, Wan-Chen; Lee, Gene-Hsiang","A New Approach to Nitrones through Cascade Reaction of Nitro Compounds Enabled by Visible Light Photoredox Catalysis.","Organic letters","2015","17","10","2314","2317","10.1021/acs.orglett.5b00684","","","0.71073","MoKα","","0.0698","0.0415","","","0.1009","0.108","","","","","","1.003","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1522568","3.288","","3.288","","3.313","","90","","90","","90","","35.817","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Hg Mn -","- Hg Mn -","- Hg Mn -","1","0.0625","","Nakagawa, Y.; Hori, T.","Magnetic transition and crystal distortion in Mn Hg and Mn Zn3","Journal of the Physical Society of Japan","1962","17","","1313","1314","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522634","3.253","","3.253","","3.253","","90","","90","","90","","34.423","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Nb0.8 Pd0.2 -","- Nb0.8 Pd0.2 -","- Nb1.6 Pd0.4 -","2","0.0208333","","Oesterreicher, H.; Clinton, J.","Superconductivity in hydrides of Nb-Pd and Nb-Rh","Journal of Solid State Chemistry","1976","17","","443","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522884","10.231","","10.231","","3.7194","","90","","90","","90","","389.322","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Nb5 Te4 -","- Nb5 Te4 -","- Nb10 Te8 -","2","0.125","","Selte, K.; Kjekshus, A.","The crystal structures of Nb5 Se4 and Nb5 Te4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1963","17","","2560","2562","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523250","4.034","","4.034","","4.034","","90","","90","","90","","65.646","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Pb0.2 Tl0.8) Pd3","","- Pb0.2 Pd3 Tl0.8 -","- Pb0.2 Pd3 Tl0.8 -","- Pb0.2 Pd3 Tl0.8 -","1","0.0208333","","Bhan, S.; Schubert, K.","Ueber die Struktur von Phasen mit Kupfer-Unterstruktur in einigen T-B Legierungen (T= Ni, Pd, Pt; B= Ga, In, Tl, Pb, Sb, Bi)","Journal of the Less-Common Metals","1969","17","","73","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","143864","2020-10-21","18:00:00",""
"1523251","7.53","","6.72","","3.77","","90","","90","","90","","190.768","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ga3 Ni5 -","- Ga3 Ni5 -","- Ga6 Ni10 -","2","0.125","","Bhan, S.; Schubert, K.","Ueber die Struktur von Phasen mit Kupfer Unterstruktur in einigen T-B Legierungen (T= Ni, Pd, Pt; B= Ga, In, Tl, Pb, Sb, Bi)","Journal of the Less-Common Metals","1969","17","","73","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523324","7.147","","7.147","","7.147","","90","","90","","90","","365.066","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Fe2 (Sc0.5 Y0.5)","","- Fe2 Sc0.5 Y0.5 -","- Fe2 Sc0.5 Y0.5 -","- Fe16 Sc4 Y4 -","8","0.0416667","","Burnasheva, V.V.; Ivanov, A.V.; Yartys', V.A.; Semenenko, K.N.","Hydride phases based on scandium-containing intermetallides with the structure of Laves phases","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1981","17","","980","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1523418","4.8333","","4.8333","","7.9384","","90","","90","","120","","160.602","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn2 Ti -","- Mn2 Ti -","- Mn8 Ti4 -","4","0.166667","","Costa, M.M.R.; de Almeida, M.J.M.","Electron density in the Laves phase Ti Mn2 thorium-manganese system","Portugaliae physica","1986","17","","173","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523541","4.585","","4.585","","4.585","","90","","90","","90","","96.387","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pu Zr)","","- Pu Zr -","- Pu Zr -","- Pu2 Zr2 -","2","0.0104167","","Ellinger, F.H.; Land, C.C.","On the plutonium-zirconium phase diagram","Nuclear Metallurgy, Proc. 4th Int. Conf. Plutonium and other Actinides, Santa Fe, New Mexico 1970","1971","17","","686","698","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523614","24.4884","0.0013","7.9625","0.0004","18.5286","0.0011","90","","131.954","0.003","90","","2686.8","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Verma, Akhilesh K.; Danodia, Abhinandan K.; Saunthwal, Rakesh K.; Patel, Monika; Choudhary, Deepak","Palladium-Catalyzed Triple Successive C-H Functionalization: Direct Synthesis of Functionalized Carbazoles from Indoles.","Organic letters","2015","17","15","3658","3661","10.1021/acs.orglett.5b01476","","","0.71073","MoKα","","0.046","0.0425","","","0.1039","0.1062","","","","","","1.108","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1524007","2.9","","2.9","","2.9","","90","","90","","90","","24.389","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Cr Fe)","","- Cr Fe -","- Cr Fe -","- Cr Fe -","1","0.0104167","","Badjuk, T.I.; Kushma, G.P.; Rybajlo, O.I.","Temperature- and concentration depencence of the unit cell dimensions of Fe-Cr solid solutions","Izvestiya Vysshikh Uchebnykh Zavedenii, Chernaya Metallurgiya","1974","17","","126","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524092","5.147","","5.147","","5.147","","90","","90","","90","","136.352","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","(Fe0.2 Pt0.8) Nb3","","- Fe0.2 Nb3 Pt0.8 -","- Fe0.2 Nb3 Pt0.8 -","- Fe0.4 Nb6 Pt1.6 -","2","0.0416667","","Bongi, G.; Fischer, O.; Fluekiger, R.; Treyvaud, A.; Jones, H.; Schneider, D.","The behavior of magnetic and nonmagnetic impurities in the system Nb76 Pt24-x Fex","Journal of Low Temperature Physics","1974","17","","223","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","144756","2020-10-21","18:00:00",""
"1524123","6.962","","6.962","","6.962","","90","","90","","90","","337.444","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Co2 (Sc0.4 Ti0.2 Y0.4)","","- Co2 Sc0.4 Ti0.2 Y0.4 -","- Co2 Sc0.4 Ti0.2 Y0.4 -","- Co16 Sc3.2 Ti1.6 Y3.2 -","8","0.0416667","","Burnasheva, V.V.; Ivanov, A.V.; Semenko, K.N.; Yartys', V.A.","Hydride phases based on scandium-containing intermetallides with the structure of Laves phases","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1981","17","","704","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524124","7.065","","7.065","","7.065","","90","","90","","90","","352.644","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Fe1.7 Ga0.3) Sc","","- Fe1.7 Ga0.3 Sc -","- Fe1.7 Ga0.3 Sc -","- Fe13.6 Ga2.4 Sc8 -","8","0.0416667","","Burnasheva, V.V.; Ivanov, A.V.; Semenenko, K.N.; Yartys', V.A.","Hydride phases based on scandium-containing intermetallides with the structure of Laves phases","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1981","17","","980","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524128","7.255","","7.255","","7.255","","90","","90","","90","","381.867","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Dy (Fe Ni)","","- Dy Fe Ni -","- Dy Fe Ni -","- Dy8 Fe8 Ni8 -","8","0.0416667","","Burzo, E.","Magnetic behavior of Dy (Fex Ni1-x)2 and Ho (Fex Ni1-x)2 compounds","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1978","17","","1414","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524129","7.23","","7.23","","7.23","","90","","90","","90","","377.933","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Fe Ni) Ho","","- Fe Ho Ni -","- Fe Ho Ni -","- Fe8 Ho8 Ni8 -","8","0.0416667","","Burzo, E.","Magneticbehavior of Dy (Fex Ni1-x)2 and Ho (Fex Ni1-x)2 compounds","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1978","17","","1414","1425","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524210","7.311","","7.311","","7.311","","90","","90","","90","","390.778","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Dy (Fe0.8 Ni0.2)2","","- Dy Fe1.6 Ni0.4 -","- Dy Fe1.6 Ni0.4 -","- Dy8 Fe12.8 Ni3.2 -","8","0.0416667","","Christopher, J.T.; Piercy, A.R.; Taylor, K.N.R.","The lattice parameters of various series of pseudo-binary rare earth-transition metal Laves phase compounds","Journal of the Less-Common Metals","1969","17","","59","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524211","7.343","","7.343","","7.343","","90","","90","","90","","395.932","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Dy0.5 Y0.5) Fe2","","- Dy0.5 Fe2 Y0.5 -","- Dy0.5 Fe2 Y0.5 -","- Dy4 Fe16 Y4 -","8","0.0416667","","Christopher, J.T.; Piercy, A.R.; Taylor, K.N.R.","The lattice parameters of various series of pseudo-binary rare earth-transition metal Laves phase compounds","Journal of the Less-Common Metals","1969","17","","59","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524212","7.312","","7.312","","7.312","","90","","90","","90","","390.939","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Co Fe) Y","","- Co Fe Y -","- Co Fe Y -","- Co8 Fe8 Y8 -","8","0.0416667","","Christopher, J.T.; Piercy, A.R.; Taylor, K.N.R.","The lattice parameters of various series of pseudo-binary rare earth-transition metal Laves phase compounds","Journal of the Less-Common Metals","1969","17","","59","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524298","5.817","","5.817","","7.623","","90","","90","","120","","223.385","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rb In (Mo O4)2","","- In Mo2 O8 Rb -","- In Mo2 O8 Rb -","- In Mo2 O8 Rb -","1","0.0833333","","Efremov, V.A.; Trunov, V.K.; Velikodnyi, Yu.A.","Trigonal binary tungstates and molybdates of alkali and trivalent elements","Kristallografiya","1972","17","","1135","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524299","5.79","","5.79","","14.515","","90","","90","","120","","421.41","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","K In (W O4)2","","- In K O8 W2 -","- In K O8 W2 -","- In2 K2 O16 W4 -","2","0.166667","","Efremov, V.A.; Velikodnyi, Yu.A.; Trunov, V.K.","Trigonal binary tungstates and molybdates of alkali and trivalent elements","Kristallografiya","1972","17","","1135","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524308","28.11","","5.924","","28.419","","90","","114.12","","90","","4319.25","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Sr (Te O3)","","- O1.33333 Sr Te -","- O1.33333 Sr Te -","- O64 Sr48 Te48 -","48","6","","Elerman, Y.","Crystal structure of two polymorphous types of Sr Te O3","Doga. Turk. J. Phys.","1993","17","","465","473","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524407","3.668","","3.668","","11.75","","90","","90","","120","","136.907","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ce0.75 Y0.25)","","- Ce0.75 Y0.25 -","- Ce0.75 Y0.25 -","- Ce3 Y -","4","0.166667","","Gibbons, E.P.; Forgan, E.M.; McEwen, K.A.","The magnetic structure of DHCP Ce.75 Y.25 and cerium and praseodymium with terbium","Journal of Physics F","1987","17","","L101","L104","","","","","","","","","","","","","","","","","","","","","","has coordinates","145166","2020-10-21","18:00:00",""
"1524492","3.5261","","3.5261","","5.5702","","90","","90","","120","","59.978","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ce0.077 Lu0.923)","","- Ce0.077 Lu0.923 -","- Ce0.077 Lu0.923 -","- Ce0.154 Lu1.846 -","2","0.0833333","","Harris, I.R.; Raynor, G.V.","Some observations on the crystal structure of the rare-earth metals and alloys","Journal of the Less-Common Metals","1969","17","","336","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","145268","2020-10-21","18:00:00",""
"1524599","7.43","","7.43","","7.43","","90","","90","","90","","410.172","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Fe0.8 Mn0.2)2 Gd","","- Fe1.6 Gd Mn0.4 -","- Fe1.6 Gd Mn0.4 -","- Fe12.8 Gd8 Mn3.2 -","8","0.0416667","","Ilyushin, A.S.; Wallace, W.E.","Magnetic and structural studies of rare earth-iron-manganese Laves phase ternaries II","Journal of Solid State Chemistry","1966","17","","373","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524600","7.37","","7.37","","7.37","","90","","90","","90","","400.316","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Er (Fe0.5 Mn0.5)2","","- Er Fe Mn -","- Er Fe Mn -","- Er8 Fe8 Mn8 -","8","0.0416667","","Ilyushin, A.S.; Wallace, W.E.","Magnetic and structural studies of rare earth-iron-manganese Laves phase ternaries I","Journal of Solid State Chemistry","1976","17","","131","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524601","7.41","","7.41","","7.41","","90","","90","","90","","406.869","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Fe Mn) Ho","","- Fe Ho Mn -","- Fe Ho Mn -","- Fe8 Ho8 Mn8 -","8","0.0416667","","Ilyushin, A.S.; Wallace, W.E.","Magnetic and structural studies of rare earth-iron-manganese Laves phase ternaries I.","Journal of Solid State Chemistry","1976","17","","131","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524716","5.598","","5.598","","22.93","","90","","90","","120","","622.301","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Tl2 O (Al2 O3)11","","- Al22 O34 Tl1.1252 -","- Al22 O34 Tl2.0052 -","- Al22 O34 Tl2.0052 -","1","0.0416667","","Kodama, T.; Muto, G.","Crystal structure of Tl-beta-alumina","Journal of Solid State Chemistry","1976","17","","61","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","145541","2020-10-21","18:00:00",""
"1524813","3.6119","","3.6119","","3.6119","","90","","90","","90","","47.12","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Co3 (Ta0.17 Ti0.83)","","- Co3 Ta0.17 Ti0.83 -","- Co3 Ta0.17 Ti0.83 -","- Co3 Ta0.17 Ti0.83 -","1","0.0208333","","Liu, Y.; Takasugi, T.; Izumi, O.","Alloying behavior of Co3 Ti","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1986","17","","1433","1439","","","","","","","","","","","","","","","","","","","","","","has coordinates","145659","2020-10-21","18:00:00",""
"1524896","2.588","","2.588","","4.169","","90","","90","","120","","24.182","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Co3 Ir7)0.2","","- Co1.4 Ir0.6 -","- Co1.4 Ir0.6 -","- Co1.4 Ir0.6 -","1","0.0416667","","Masumoto, Hakaru; Watanabe, Kiyoshi; Inagawa, Kōnosuke","Magnetic properties of hexagonal close-packed structure type Co-Ir binary alloys","Transactions of the Japan Institute of Metals","1976","17","9","592","595","10.2320/matertrans1960.17.592","","","","","","","","","","","","","","","","","","","","","has coordinates","176270","2020-10-21","18:00:00",""
"1525144","6.23","","12.41","","9.22","","90","","79","","90","","699.741","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N H4)2 (Co (H2 O)6) (S O4)2","","- Co H20 N2 O14 S2 -","- Co H20 N2 O14 S2 -","- Co2 H40 N4 O28 S4 -","2","0.5","","Rau, V.G.; Kurkutova, E.N.","Crystal structure of Co (N H4)2 (S O4)2 (H2 O)6","Kristallografiya","1972","17","","1124","1126","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525227","5.964","","5.964","","5.964","","90","","90","","90","","212.135","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cu2 Ni Sn -","- Cu2 Ni Sn -","- Cu8 Ni4 Sn4 -","4","0.0208333","","Schreiner, W.H.; Grandi, T.A.; Pureur, P.; Brandas, D.E.; Kunzler, J.V.","A thermal X-ray and resistivity study of the Heusler alloy Cu2 Ni Sn","Journal of Thermal Analysis","1979","17","","489","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525397","5.953","","5.953","","5.953","","90","","90","","90","","210.964","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Cd0.3 Pb0.7) (S0.3 Se0.7)","","- Cd0.3 Pb0.7 S0.3 Se0.7 -","- Cd0.3 Pb0.7 S0.3 Se0.7 -","- Cd1.2 Pb2.8 S1.2 Se2.8 -","4","0.0208333","","Tomashik, Z.F.; Oleinik, G.S.; Tomashik, V.N.; Nizkova, A.I.","Phase equilibria in the Pb Se - Cd S system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1981","17","","2155","2158","","","","","","","","","","","","","","","","","","","","","","has coordinates","146354","2020-10-21","18:00:00",""
"1525556","5.174","","8.956","","14.26","","90","","97.833","","90","","654.619","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Al4.5 (Al.8 Si3.2) O10 (O H)8","","- Al5.3 H8 O18 Si3.2 -","- Al5.3 O18 Si3.2 -","- Al10.6 O36 Si6.4 -","2","0.5","","Aleksandrova, V.A.; Drits, V.A.; Sokolova, G.V.","Structural features of Dioctahedral one-packet chlorite","Kristallografiya","1972","17","","525","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525661","6.57","","5.19","","11.12","","90","","90","","90","","379.173","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- Cd2 Ge O4 -","- Cd2 Ge O4 -","- Cd8 Ge4 O16 -","4","0.5","","Belokoneva, E.L.; Ivanov, Yu.A.; Simonov, M.A.; Belov, N.V.","Crystal structure of cadmium orthogermanate Cd2 Ge O4","Kristallografiya","1972","17","","217","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525662","9.736","","9.736","","7.116","","90","","90","","120","","584.154","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Ce4.67 Si3 O13","","- Ce4.67 O13 Si3 -","- Ce4.666 O13 Si3 -","- Ce9.332 O26 Si6 -","2","0.166667","","Belokoneva, E.L.; Petrova, T.L.; Simonov, M.A.; Belov, N.V.","Crystal structure of synthetic TR analogs of apatite Dy4.67 (Ge O4)3 O and Ce4.67 (Si O4)3 O","Kristallografiya","1972","17","","490","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","146690","2020-10-21","18:00:00",""
"1525663","9.2","","9.2","","6.808","","90","","90","","120","","499.029","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Dy4.67 (Ge O4)3 O","","- Dy4.67 Ge3 O13 -","- Dy4.66 Ge3 O13 -","- Dy9.32 Ge6 O26 -","2","0.166667","","Belokoneva, E.L.; Petrova, T.L.; Belov, N.V.; Simonov, M.A.","Crystal structure of synthetic TR analogs of apatite Dy4.67 (Ge O4)3 O and Ce4.67 (Si O4)3 O","Kristallografiya","1972","17","","490","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","146691","2020-10-21","18:00:00",""
"1525730","6.8413","","7.078","","6.5153","","90","","103.322","","90","","306.999","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","La (P O4)","","- La O4 P -","- La O4 P -","- La4 O16 P4 -","4","1","","Callejas, G.; Crespo, P.; Cabrera, S.; Blanco, M.; Choque, V.; Prieto, O.; Luna, I.","Simulacion de la estructura cristalina de la fase La P O4 monacita de baja temperatura a partir de difractogramas de rayos X de polvo","Revista Boliviana de Quimica","2000","17","","22","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525734","10.5","","9.58","","11.78","","90","","109.53","","90","","1116.78","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Ba2 Fe Ce2 Ti2 Si8 O26","","- Ba2 Ce2 Fe O26 Si8 Ti2 -","- Ba2 Ce2 Fe O26 Si8 Ti2 -","- Ba4 Ce4 Fe2 O52 Si16 Ti4 -","2","0.25","","Cannillo, E.; Mazzi, F.; Rossi, G.","The Structure Type of Joaquinite","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1972","17","","233","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526029","6.91","","5.48","","4.51","","90","","112.83","","90","","157.4","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Pb (Se O3)","","- O3 Pb Se -","- O3 Pb Se -","- O6 Pb2 Se2 -","2","0.5","","Fischer, R.","Die Kristallstruktur von Molybdomenit, Pb Se O3","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1972","17","","196","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526030","5.787","","4.844","","11.794","","90","","118.4","","90","","290.822","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na D3 (Se O3)2","","- D3 Na O6 Se2 -","- Na O6 Se2 -","- Na2 O12 Se4 -","2","0.5","","Mohana-Rao, J.K.","Room-temperature crystal structure of the ferroelectric sodium trideuteroselenite","Kristallografiya","1972","17","","494","501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526210","11.3","","7.94","","8.46","","90","","90","","110.45","","711.211","","","","","","","","","","","","","3","P 1 1 21","P 2c","4","","Cs2 (Hg I4)","","- Cs2 Hg I4 -","- Cs2 Hg I4 -","- Cs4 Hg2 I8 -","2","1","","Pakhomov, V.I.; Fedorov, P.M.","Crystal structure of Cs2 Hg I4","Kristallografiya","1971","17","","942","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526668","15.1","","8.89","","5.858","","90","","90","","90","","786.372","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Rb In (Mo O4)2","","- In Mo2 O8 Rb -","- In Mo2 O8 Rb -","- In4 Mo8 O32 Rb4 -","4","0.5","","Klevtsov, P.V.; Klevtsova, R.F.; Demenev, A.V.","Couble molybdates and tungstates of rubidium with scandium and indium, and the potassium indium tungstate, crystallizing in the structural types K Al (Mo O4)2 and K In (Mo O4)2","Kristallografiya","1972","17","","545","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526672","10.22","","10.78","","7.54","","90","","126.5","","90","","667.759","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K Nd (W O4)2","","- K Nd O8 W2 -","- K Nd O8 W2 -","- K4 Nd4 O32 W8 -","4","0.5","","Klevtsova, R.F.; Volkova, L.M.","Crystal structure of monoclinic K Nd (W O4)2","Kristallografiya","1972","17","","859","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526674","11.38","","11.38","","11.29","","90","","90","","90","","1462.1","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Na5 Lu (W O4)4","","- Lu Na5 O16 W4 -","- Lu Na5 O16 W4 -","- Lu4 Na20 O64 W16 -","4","0.25","","Klevtsova, R.F.; Kozeeva, L.P.; Glinskaya, L.A.; Klevtsov, P.V.","The double sodium lutetium tungstates, Na Lu (W O4)2 and Na5 Lu (W O4)4, and their crystal structures","Kristallografiya","1972","17","","768","772","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526676","9.56","","5.14","","8.26","","90","","90","","90","","405.883","","","","","","","","","","","","","4","P c c m","-P 2 2c","49","","Cs Pr (Mo O4)2","","- Cs Mo2 O8 Pr -","- Cs Mo2 O8 Pr -","- Cs2 Mo4 O16 Pr2 -","2","0.25","","Klevtsova, R.F.; Klevtsov, P.V.; Vinokurov, V.A.","Crystal structure and thermal stability of cesium praseodymium molybdate, Cs Pr (Mo O4)2","Kristallografiya","1972","17","","284","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526729","10.6","","5.36","","9.73","","90","","90","","104","","536.399","","","","","","","","","","","","","3","B 1 1 2/b","-B 2b","15","","","","- Cd Ge O3 -","- Cd Ge O3 -","- Cd8 Ge8 O24 -","8","1","","Kornev, A.N.; Dem'yanets, L.N.; Ilyukhin, V.V.; Maksimov, B.A.; Belov, N.V.","Hydrothermal synthesis in the K Cl - Cd O - Ge O2 - H2 O System and the crystal structure of Cd2 (Ge2 O6)","Kristallografiya","1972","17","","289","291","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526734","8.065","","8.065","","8.065","","90","","90","","90","","524.582","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Co Co2 O4","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0833333","","Kotousova, I.S.; Polyakov, S.M.","Electron-diffraction study of Co3 O4","Kristallografiya","1972","17","","661","663","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:09",""
"1527110","11.65","","13.68","","17.57","","90","","90","","90","","2800.17","","","","","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","K2 (Sn F6) (H2 O)","","- F6 H2 K2 O Sn -","- F6 H2 K2 O Sn -","- F96 H32 K32 O16 Sn16 -","16","0.5","","Baidina, I.A.; Bakakin, V.V.; Borisov, S.V.; Podberezskaya, N.V.","Kristallicheskaya struktura monohidrata heksaflorstannatakaliya K2 Sn F6 (H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","505","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527148","24.817","","24.817","","4.4279","","90","","90","","120","","2361.71","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","(Sb I3) (S8)3","","- I3 S24 Sb -","- I3 S24 Sb -","- I9 S72 Sb3 -","3","0.166667","","Bjorvatten, T.; Lindheim, A.; Hassel, O.","Crystal structure of the addition compound Sb I3:3 S8","Acta Chemica Scandinavica (1-27,1973-42,1988)","1963","17","","689","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527220","3.1465","","3.1465","","3.1465","","90","","90","","90","","31.152","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","(Tb0.35 Te0.65)","","- Tb0.35 Te0.65 -","- Tb0.35 Te0.65 -","- Tb0.35 Te0.65 -","1","0.0208333","","Chander, R.; Kumar, R.; Sharma, B.B.","Simple cubic structure in Tb-Te films","Physica Status Solidi, Sectio A: Applied Research","1973","17","","157","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","148658","2020-10-21","18:00:00",""
"1527221","3.171","","3.171","","3.171","","90","","90","","90","","31.885","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(W0.965 Zr0.035)","","- W0.965 Zr0.035 -","- W0.965 Zr0.035 -","- W1.93 Zr0.07 -","2","0.0208333","","Chang, Y.A.","Phase investigation in the system zirconium-tungsten","Journal of the Less-Common Metals","1969","17","","325","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","148659","2020-10-21","18:00:00",""
"1527302","3.85","","3.85","","24.68","","90","","90","","120","","316.809","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Zn In2 S4","","- In2 S4 Zn -","- In2 S4 Zn -","- In4 S8 Zn2 -","2","0.166667","","Donika, F.G.; Kiosse, G.A.; Radautsan, S.I.; Semiletov, S.A.; Mustya, I.G.","Crystal structure of the two pack polytypic form Zn In2 S4(II)B","Kristallografiya","1972","17","","663","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527431","17.718","","5.837","","6.307","","90","","90","","90","","652.27","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N H4 H3 (Se O3)2","","- H7 N O6 Se2 -","- N O6 Se2 -","- N4 O24 Se8 -","4","1","","Gorbatyii, L.V.; Ponomarev, V.I.; Kheiker, D.M.","Crystal structure of ammonium trihydroselenite","Kristallografiya","1972","17","","1131","1134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527480","5.63","","10.54","","7.47","","90","","98","","90","","438.957","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cu (N H3)2 C O3","","- C H6 Cu N2 O3 -","- C Cu N2 O3 -","- C4 Cu4 N8 O12 -","4","1","","Hanic, F.","The crystal structure of the diamminecopper(II) carbonate","Chemicke Zvesti","1963","17","","365","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527576","9.625","","9.625","","6.504","","90","","90","","120","","521.81","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Cd5 (P O4)3 Cl","","- Cd5 Cl O12 P3 -","- Cd5 Cl O12 P3 -","- Cd10 Cl2 O24 P6 -","2","0.166667","","Ivanov, A.; Simonov, M.A.; Belov, N.","Kristallicheskaya struktura Cd-khlorapatita Cd5 (P O4)3 Cl","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","375","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527607","10.994","","7.224","","6.662","","90","","90","","90","","529.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cu (S C N)","","- C Cu N S -","- C Cu N S -","- C8 Cu8 N8 S8 -","8","1","","Kabesova, M.; Dunaj-Jurco, M.; Serator, M.; Gazo, J.","Crystal structure of copper(I) thiocyanate and its relation to the crystal structure of copper(II) diammine dithiocyanate complex","Inorganica Chimica Acta","1976","17","","161","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527835","6.34","","6.34","","6.6","","90","","90","","120","","229.749","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","Y D3","","- D3 Y -","- D3 Y -","- D18 Y6 -","6","0.5","","Miron, N.F.; Shcherbak, V.I.; Bykov, V.N.; Levdik, V.A.","Neutron diffraction study of yttrium trihydride","Kristallografiya","1972","17","","404","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527936","8.1","","8.1","","13.34","","90","","90","","120","","757.978","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","(N H4) Er3 F10","","- Er3 F10 H4 N -","- Er3 F10 N -","- Er12 F40 N4 -","4","0.333333","","Podberezskaya, N.V.; Borisov, S.V.; Baidina, I.A.; Belov, N.","Kristallicheskaya struktura N H4 Er3 F10 chetyrekhsloinyikationnyi karkas ""Flyuoritovogo"" tipa","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","147","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527937","13.43","","6.72","","18.13","","90","","102.8","","90","","1595.56","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sm2 (S O4)3 (H2 O)8","","- H16 O20 S3 Sm2 -","- O20 S3 Sm2 -","- O80 S12 Sm8 -","4","0.5","","Podberezskaya, N.V.; Borisov, S.V.","Utochnenie kristallicheskoi struktury Sm2 (S O4)3 (H2 O)8","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","186","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","149753","2020-10-21","18:00:00",""
"1527999","10.22","","5.57","","14.52","","90","","90","","90","","826.557","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 Ta2 O3 F6","","- F6 K2 O3 Ta2 -","- F6 K2 O3 Ta2 -","- F24 K8 O12 Ta8 -","4","0.5","","Rogachev, D.L.; Kuznetsova, V.G.; Bogdanova, A.V.; Dikareva, D.; Porai-Koshits, M.A.","Struktura soli marinyaka","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","129","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","149842","2020-10-21","18:00:00",""
"1528060","7.195","","5.484","","13.58","","90","","104.57","","90","","518.599","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(U O2) (Mo O4)","","- Mo O6 U -","- Mo O6 U -","- Mo4 O24 U4 -","4","1","","Serezhkin, V.N.; Kovba, L.M.; Trunov, V.K.","Structure of uranyl molybdate","Kristallografiya","1972","17","","1127","1130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528085","6.503","","8.498","","4.682","","90","","102.77","","90","","252.339","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Sc2 (Si2 O7)","","- O7 Sc2 Si2 -","- O7 Sc2 Si2 -","- O14 Sc4 Si4 -","2","0.25","","Smolin, Yu.I.; Shepelev, Yu.F.; Titov, A.P.","Refinement of the crystal structure of thortveitite","Kristallografiya","1972","17","","857","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","149971","2020-10-21","18:00:00",""
"1528157","10.47","","10.47","","10.47","","90","","90","","90","","1147.73","","","","","","","","","","","","","5","F d -3 m :1","F 4d 2 3 -1d","227","","Sr Li Ta2 O6 F","","- F Li O6 Sr Ta2 -","- F Li O6 Sr Ta2 -","- F8 Li8 O48 Sr8 Ta16 -","8","0.0416667","","Tutov, A.G.; Bader, V.I.; Myl'nikova, I.E.","Synthesis and X-ray diffraction study of single crystals of a new pyrochlore containing lithium, Sr Li Ta2 O6 F","Kristallografiya","1972","17","","406","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528168","7.345","","7.345","","10.4","","90","","90","","90","","561.07","","","","","","","","","","","","","3","P 42 21 2","P 4n 2n","94","","Na5 Fe3 F14","","- F14 Fe3 Na5 -","- F14 Fe3 Na5 -","- F28 Fe6 Na10 -","2","0.25","","Vlasse, M.; Menil, F.; Moriliere, C.; Dance, J.M.; Tressaud, A.; Portier, J.","Etude cristallographique et par effet moessbauer du fluorure ferrimagnetique Na5 Fe3 F14-gamma","Journal of Solid State Chemistry","1976","17","","291","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","150122","2020-10-21","18:00:00",""
"1528228","6.441","","9.354","","10.011","","63.15","","89.45","","99.28","","528.754","","","","","","","","","","","","","4","P -1","-P 1","2","","Ca2 (B8 O13 (O H)2)","","- B8 Ca2 H2 O15 -","- B8 Ca2 H2 O15 -","- B16 Ca4 H4 O30 -","2","1","","Yamnova, N.A.; Simonov, M.A.; Belov, N.","Utochnennaya kristallicheskaya struktura karkasnogo Ca-borata Ca2 (B8 O13 (O H)2)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","489","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528584","5.283","","5.283","","19.808","","90","","90","","90","","552.843","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- Cd P2 -","- Cd P2 -","- Cd8 P16 -","8","1","","Horn, J.","Crystal structure and absolute configuration of beta-Cd P2","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1969","17","","69","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528638","8.193","","8.193","","8.193","","90","","90","","90","","549.957","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Mn W O6","","- Ba2 Mn O6 W -","- Ba2 Mn O6 W -","- Ba8 Mn4 O24 W4 -","4","0.0208333","","Khattak, C.P.; Cox, D.E.; Wang, F.F.Y.","Magnetic structure of Ba2 Mn W O6","Journal of Solid State Chemistry","1976","17","","323","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528800","3.94","","3.94","","3.94","","90","","90","","90","","61.163","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Nb0.55 Zr0.45) (O1.1 F1.8)","","- F1.8 Nb0.55 O1.1 Zr0.45 -","- F1.8 Nb0.548 O1.0995 Zr0.452 -","- F1.8 Nb0.548 O1.0995 Zr0.452 -","1","0.0208333","","Poulain, M.; Lucas, J.; Tilley, R.J.D.","A structural study of a nonstoichiometric niobium-zirconium oxyfluoride with the Re O3 type structure","Journal of Solid State Chemistry","1976","17","","331","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","151503","2020-10-21","18:00:00",""
"1528905","15.161","","8.756","","17.428","","90","","96.64","","90","","2298.04","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(C (N H2)3)3 (Sb2 Cl9)","","- C3 H18 Cl9 N9 Sb2 -","- C3 H18 Cl9 N9 Sb2 -","- C12 H72 Cl36 N36 Sb8 -","4","0.5","","Szklarz, P.; Zaleski, J.; Falinska, K.; Jakubas, R.; Medycki, W.; Bator, G.","The structure, phase transition and molecular dynamics of [C (N H2)3]3 [Sb2 Br9]","Journal of Physics: Condensed Matter","2005","17","","2509","2528","","","","","","","","","","","","","","","","","","","","","","has coordinates","151721","2020-10-21","18:00:00",""
"1528906","15.725","","9.04","","18.681","","90","","96.68","","90","","2637.55","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(C (N H2)3)3 (Sb2 Br9)","","- C3 H18 Br9 N9 Sb2 -","- C3 H18 Br9 N9 Sb2 -","- C12 H72 Br36 N36 Sb8 -","4","0.5","","Szklarz, P.; Jakubas, R.; Zaleski, J.; Bator, G.; Falinska, K.; Medycki, W.","The structure, phase transition and molecular dynamics of [C (N H2)3]3 [Sb2 Br9]","Journal of Physics: Condensed Matter","2005","17","","2509","2528","","","","","","","","","","","","","","","","","","","","","","has coordinates","151722","2020-10-21","18:00:00",""
"1529193","9.823","0.002","10.177","0.002","11.186","0.002","92.48","0.03","113.89","0.03","100.8","0.03","995.5","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Br N O2 -","- C23 H20 Br N O2 -","- C46 H40 Br2 N2 O4 -","2","1","","Sha, Qiang; Arman, Hadi; Doyle, Michael P.","Three-Component Cascade Reactions with 2,3-Diketoesters: A Novel Metal-Free Synthesis of 5-Vinyl-pyrrole and 4-Hydroxy-indole Derivatives.","Organic letters","2015","17","15","3876","3879","10.1021/acs.orglett.5b01855","","","0.71073","MoKα","","0.0547","0.0492","","","0.1299","0.1363","","","","","","1.04","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529249","9.4119","0.0002","7.6136","0.0002","18.3824","0.0005","90","","104.166","0.001","90","","1277.2","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Diaba, Faïza; Montiel, Juan A.; Serban, Georgeta; Bonjoch, Josep","Synthesis of Normorphans through an Efficient Intramolecular Carbamoylation of Ketones.","Organic letters","2015","17","15","3860","3863","10.1021/acs.orglett.5b01832","","","0.71073","MoKα","","0.0905","0.0568","","","0.122","0.1328","","","","","","0.895","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529250","7.9657","0.0002","14.5166","0.0003","12.0126","0.0003","90","","90","","90","","1389.08","0.06","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Diaba, Faïza; Montiel, Juan A.; Serban, Georgeta; Bonjoch, Josep","Synthesis of Normorphans through an Efficient Intramolecular Carbamoylation of Ketones.","Organic letters","2015","17","15","3860","3863","10.1021/acs.orglett.5b01832","","","0.71073","MoKα","","0.0493","0.0467","","","0.1283","0.137","","","","","","1.098","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529257","11.1369","0.0006","12.7954","0.0006","13.7775","0.0006","90","","105.869","0.005","90","","1888.49","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O5 S -","- C19 H20 N2 O5 S -","- C76 H80 N8 O20 S4 -","4","2","","Feng, Huan-Xi; Tan, Rui; Liu, Yan-Kai","An Efficient One-Pot Approach to the Construction of Chiral Nitrogen-Containing Heterocycles under Mild Conditions.","Organic letters","2015","17","15","3794","3797","10.1021/acs.orglett.5b01772","","","1.54184","CuKα","","0.07","0.0534","","","0.1288","0.1436","","","","","","1.048","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529280","8.8383","0.0014","21.101","0.002","6.6024","0.0008","90","","91.311","0.011","90","","1231","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N -","- C17 H13 N -","- C68 H52 N4 -","4","1","","Mandal, Sumana; Mahato, Sujit; Jana, Chandan K.","Direct β-C(sp(3))-H Functionalization of Aliphatic Amines to α,β-Unsaturated Imines, Aldehydes, and Chromenes.","Organic letters","2015","17","15","3762","3765","10.1021/acs.orglett.5b01744","","","0.71073","MoKα","","0.1363","0.0699","","","0.1329","0.1756","","","","","","1.062","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529281","17.7457","0.0008","5.8725","0.0003","20.1502","0.0009","90","","103.189","0.001","90","","2044.5","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C96 H84 N4 O16 S4 -","4","1","","Kuppusamy, Ramajayam; Gandeepan, Parthasarathy; Cheng, Chien-Hong","Rh(III)-Catalyzed [4 + 1] Annulations of 2-Hydroxy- and 2-Aminobenzaldehydes with Allenes: A Simple Method toward 3-Coumaranones and 3-Indolinones.","Organic letters","2015","17","15","3846","3849","10.1021/acs.orglett.5b01825","","","0.71073","MoKα","","0.0505","0.036","","","0.0841","0.0929","","","","","","1.028","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529282","29.2958","0.0017","6.1415","0.0003","15.5413","0.0009","90","","90","","90","","2796.2","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 Br O2 -","- C17 H13 Br O2 -","- C136 H104 Br8 O16 -","8","2","","Kuppusamy, Ramajayam; Gandeepan, Parthasarathy; Cheng, Chien-Hong","Rh(III)-Catalyzed [4 + 1] Annulations of 2-Hydroxy- and 2-Aminobenzaldehydes with Allenes: A Simple Method toward 3-Coumaranones and 3-Indolinones.","Organic letters","2015","17","15","3846","3849","10.1021/acs.orglett.5b01825","","","0.71073","MoKα","","0.0492","0.0384","","","0.091","0.1152","","","","","","1.086","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529283","10.1466","0.0003","10.1835","0.0003","16.6612","0.0004","90","","90","","90","","1721.57","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin","Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone.","Organic letters","2015","17","15","3938","3940","10.1021/acs.orglett.5b01975","","x-ray","0.71073","MoKα","","0.0684","0.0486","","","0.0997","0.1084","","","","","","1.019","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529284","8.2578","0.0003","7.6701","0.0003","12.4589","0.0005","90","","99.389","0.003","90","","778.55","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C34 H54 N2 O4 -","2","1","","Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin","Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone.","Organic letters","2015","17","15","3938","3940","10.1021/acs.orglett.5b01975","","","1.54178","CuKα","","0.0423","0.0389","","","0.1047","0.1103","","","","","","1.028","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529285","8.5383","0.0005","7.6057","0.0004","12.8523","0.0008","90","","104.589","0.007","90","","807.71","0.09","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin","Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone.","Organic letters","2015","17","15","3938","3940","10.1021/acs.orglett.5b01975","","x-ray","0.71073","MoKα","","0.0517","0.0377","","","0.0666","0.0686","","","","","","0.986","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529293","8.8494","0.0015","10.974","0.002","17.557","0.004","90","","90","","90","","1705","0.6","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Komine, Keita; Nomura, Yusuke; Ishihara, Jun; Hatakeyama, Susumi","Total Synthesis of (-)-N-Methylwelwitindolinone C Isothiocyanate Based on a Pd-Catalyzed Tandem Enolate Coupling Strategy.","Organic letters","2015","17","15","3918","3921","10.1021/acs.orglett.5b01952","","","0.71075","MoKα","","","0.0317","","","","0.0791","","","","","","1.041","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529294","10.3796","0.0014","12.9633","0.0017","14.3864","0.0019","71.474","0.011","71.763","0.012","68.137","0.01","1661.2","0.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","2","","Komine, Keita; Nomura, Yusuke; Ishihara, Jun; Hatakeyama, Susumi","Total Synthesis of (-)-N-Methylwelwitindolinone C Isothiocyanate Based on a Pd-Catalyzed Tandem Enolate Coupling Strategy.","Organic letters","2015","17","15","3918","3921","10.1021/acs.orglett.5b01952","","","0.71075","MoKα","","","0.0565","","","","0.1773","","","","","","1.123","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529307","14.1631","0.0005","11.4869","0.0004","16.4977","0.0005","90","","94.808","0.001","90","","2674.57","0.16","176","2","176","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 O7 Si -","- C29 H36 O7 Si -","- C116 H144 O28 Si4 -","4","1","","Sakata, Juri; Ando, Yoshio; Ohmori, Ken; Suzuki, Keisuke","Synthetic Study on Naphthospironone A: Construction of Benzobicyclo[3.2.1]octene Skeleton with Oxaspirocycle.","Organic letters","2015","17","15","3746","3749","10.1021/acs.orglett.5b01732","","","0.71075","MoKα","","0.0585","0.0498","","","0.1254","0.1311","","","","","","1.068","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529349","10.6416","0.0003","13.3076","0.0006","17.3445","0.0005","90","","92.328","0.002","90","","2454.2","0.15","293","2","293.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H62 Cl2 Cu2 O6 P2 S2 -","- C36 H62 Cl2 Cu2 O6 P2 S2 -","- C72 H124 Cl4 Cu4 O12 P4 S4 -","2","1","","Wang, Ding; Cao, Peng; Wang, Bing; Jia, Tao; Lou, Yazhou; Wang, Min; Liao, Jian","Copper(I)-Catalyzed Asymmetric Pinacolboryl Addition of N-Boc-imines Using a Chiral Sulfoxide-Phosphine Ligand.","Organic letters","2015","17","10","2420","2423","10.1021/acs.orglett.5b00934","","","0.71073","MoKα","","0.0651","0.0471","","","0.1096","0.1219","","","","","","1.023","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1529350","11.4371","0.0003","13.3473","0.0003","22.4306","0.0007","90","","101.301","0.001","90","","3357.74","0.16","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 Br F3 N2 O2 S -","- C16 H10 Br F3 N2 O2 S -","- C128 H80 Br8 F24 N16 O16 S8 -","8","1","","Lee, Eunsook; Ryu, Taekyu; Shin, Eunji; Son, Jeong-Yu; Choi, Wonseok; Lee, Phil Ho","Synthesis of 2-bromoimidazoles from alkynes, N-sulfonylazides, and bromocyanides.","Organic letters","2015","17","10","2470","2473","10.1021/acs.orglett.5b00977","","","0.71073","MoKα","","0.0926","0.0665","","","0.1674","0.1872","","","","","","1.043","","","","has coordinates","152782","2020-10-21","18:00:00",""
"1529362","15.6612","0.0013","9.6881","0.0008","16.3377","0.001","90","","96.112","0.007","90","","2464.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N6 -","- C32 H22 N6 -","- C128 H88 N24 -","4","1","","Constantinides, Christos P.; Zissimou, Georgia A.; Berezin, Andrey A.; Ioannou, Theodosia A.; Manoli, Maria; Tsokkou, Demetra; Theodorou, Eleni; Hayes, Sophia C.; Koutentis, Panayiotis A.","Tetraphenylhexaazaanthracenes: 16π Weakly Antiaromatic Species with Singlet Ground States.","Organic letters","2015","17","16","4026","4029","10.1021/acs.orglett.5b01923","","","1.54184","CuKα","","0.055","0.0423","","","0.111","0.1202","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529363","8.8511","0.0005","9.8863","0.0004","16.5742","0.0006","107.267","0.003","92.876","0.004","90.368","0.004","1382.87","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 Cl2 N6 -","- C34 H26 Cl2 N6 -","- C68 H52 Cl4 N12 -","2","1","","Constantinides, Christos P.; Zissimou, Georgia A.; Berezin, Andrey A.; Ioannou, Theodosia A.; Manoli, Maria; Tsokkou, Demetra; Theodorou, Eleni; Hayes, Sophia C.; Koutentis, Panayiotis A.","Tetraphenylhexaazaanthracenes: 16π Weakly Antiaromatic Species with Singlet Ground States.","Organic letters","2015","17","16","4026","4029","10.1021/acs.orglett.5b01923","","","0.71073","MoKα","","0.0464","0.0412","","","0.1154","0.1206","","","","","","1.088","","","","has coordinates","154774","2020-10-21","18:00:00",""
"1529370","15.9","0.002","21.601","0.003","19.802","0.003","90","","110.332","0.003","90","","6377.4","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F3 N O4 S -","- C22 H18 F3 N O4 S -","- C264 H216 F36 N12 O48 S12 -","12","3","","Xin, Xiaoyi; Wang, Haolong; Li, Xincheng; Wang, Dongping; Wan, Boshun","Base-Catalyzed Selective Synthesis of 2-Azabicyclo[3.2.0]hept-2-enes and Sulfonyl Vinyl-Substituted Pyrroles from 3-Aza-1,5-enynes.","Organic letters","2015","17","16","3944","3947","10.1021/acs.orglett.5b01474","","","0.71073","MoKα","","0.215","0.0809","","","0.1456","0.1928","","","","","","0.962","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529371","12.978","0.004","13.576","0.004","16.636","0.005","84.126","0.006","79.909","0.007","65.828","0.007","2631.2","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 F3 N O5 S -","- C28 H24 F3 N O5 S -","- C112 H96 F12 N4 O20 S4 -","4","2","","Xin, Xiaoyi; Wang, Haolong; Li, Xincheng; Wang, Dongping; Wan, Boshun","Base-Catalyzed Selective Synthesis of 2-Azabicyclo[3.2.0]hept-2-enes and Sulfonyl Vinyl-Substituted Pyrroles from 3-Aza-1,5-enynes.","Organic letters","2015","17","16","3944","3947","10.1021/acs.orglett.5b01474","","","0.71073","MoKα","","0.1123","0.0691","","","0.1698","0.1931","","","","","","1.032","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529372","15.6589","0.0011","9.9834","0.0007","16.2519","0.0012","90","","92.274","0.002","90","","2538.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 F3 N O4 S -","- C28 H24 F3 N O4 S -","- C112 H96 F12 N4 O16 S4 -","4","1","","Xin, Xiaoyi; Wang, Haolong; Li, Xincheng; Wang, Dongping; Wan, Boshun","Base-Catalyzed Selective Synthesis of 2-Azabicyclo[3.2.0]hept-2-enes and Sulfonyl Vinyl-Substituted Pyrroles from 3-Aza-1,5-enynes.","Organic letters","2015","17","16","3944","3947","10.1021/acs.orglett.5b01474","","","0.71073","MoKα","","0.1005","0.0489","","","0.106","0.1263","","","","","","0.961","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529373","10.562","0.0012","11.1083","0.0013","11.2554","0.0013","85.47","0.003","66.868","0.003","84.789","0.003","1208","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 F3 N O4 S -","- C24 H24 F3 N O4 S -","- C48 H48 F6 N2 O8 S2 -","2","1","","Xin, Xiaoyi; Wang, Haolong; Li, Xincheng; Wang, Dongping; Wan, Boshun","Base-Catalyzed Selective Synthesis of 2-Azabicyclo[3.2.0]hept-2-enes and Sulfonyl Vinyl-Substituted Pyrroles from 3-Aza-1,5-enynes.","Organic letters","2015","17","16","3944","3947","10.1021/acs.orglett.5b01474","","","0.71073","MoKα","","0.0786","0.0523","","","0.142","0.1614","","","","","","0.986","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529374","11.5958","0.0016","12.0999","0.0017","14.031","0.002","90","","97.891","0.002","90","","1950","0.5","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O2 S -","- C22 H20 N2 O2 S -","- C88 H80 N8 O8 S4 -","4","1","","Zeng, Ting-Ting; Xuan, Jun; Ding, Wei; Wang, Kuan; Lu, Liang-Qiu; Xiao, Wen-Jing","[3 + 2] Cycloaddition/Oxidative Aromatization Sequence via Photoredox Catalysis: One-Pot Synthesis of Oxazoles from 2H-Azirines and Aldehydes.","Organic letters","2015","17","16","4070","4073","10.1021/acs.orglett.5b01994","","","0.71073","MoKα","","0.0693","0.0529","","","0.1371","0.1551","","","","","","1.04","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529381","29.3719","0.0016","14.1615","0.0008","33.703","0.0018","90","","101.172","0.0008","90","","13753.1","1.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Potassium CB4(acetone) chloride hydrate","","- C114 H172 Cl K Li0 N47 O38 -","- C114 H146 K N32 O37.884 -","- C456 H584 K4 N128 O151.536 -","4","0.5","","Lu, Xiaoyong; Isaacs, Lyle","Synthesis and Recognition Properties of Enantiomerically Pure Acyclic Cucurbit[n]uril-Type Molecular Containers.","Organic letters","2015","17","16","4038","4041","10.1021/acs.orglett.5b01948","","","0.71073","MoKα","","0.1194","0.0984","","","0.1979","0.2062","","","","","","1.272","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529393","6.9051","0.0007","18.0332","0.0019","18.2794","0.0019","90","","90","","90","","2276.2","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl N O5 -","- C25 H24 Cl N O5 -","- C100 H96 Cl4 N4 O20 -","4","1","","Liu, Qiong-Jie; Yan, Wen-Guang; Wang, Lijia; Zhang, X. Peter; Tang, Yong","One-Pot Catalytic Asymmetric Synthesis of Tetrahydrocarbazoles.","Organic letters","2015","17","16","4014","4017","10.1021/acs.orglett.5b01909","","","0.71073","MoKα","","0.0504","0.0376","","","0.0909","0.0989","","","","","","1.019","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529398","31.5153","0.0016","8.7548","0.0005","18.0436","0.001","90","","123.435","0.001","90","","4154.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 N O6 -","- C25 H23 N O6 -","- C200 H184 N8 O48 -","8","1","","Huang, Jing-Kai; Yang Lauderdale, Tsai-Ling; Shia, Kak-Shan","Studies on Antibiotics Active against Resistant Bacteria. Total Synthesis of MRSA-Active Tetarimycin A and Its Analogues.","Organic letters","2015","17","17","4248","4251","10.1021/acs.orglett.5b02039","","","0.71073","MoKα","","0.0737","0.0434","","","0.0996","0.112","","","","","","1.012","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529399","16.4511","0.0005","17.491","0.0005","13.5624","0.0004","90","","98.856","0.0013","90","","3856","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H35 B F2 N2 -","- C55 H35 B F2 N2 -","- C220 H140 B4 F8 N8 -","4","1","","Chua, Ming Hui; Huang, Kuo-Wei; Xu, Jianwei; Wu, Jishan","Unusual Intramolecular Hydrogen Transfer in 3,5-Di(triphenylethylenyl) BODIPY Synthesis and 1,2-Migratory Shift in Subsequent Scholl Type Reaction.","Organic letters","2015","17","17","4168","4171","10.1021/acs.orglett.5b01916","","","1.54178","CuKα","","0.0682","0.0506","","","0.1206","0.1292","","","","","","1.064","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529400","13.1321","0.0003","10.7218","0.0003","30.2961","0.0008","90","","96.85","0.001","90","","4235.23","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H36 B F7 N2 -","- C55 H36 B F7 N2 -","- C220 H144 B4 F28 N8 -","4","1","","Chua, Ming Hui; Huang, Kuo-Wei; Xu, Jianwei; Wu, Jishan","Unusual Intramolecular Hydrogen Transfer in 3,5-Di(triphenylethylenyl) BODIPY Synthesis and 1,2-Migratory Shift in Subsequent Scholl Type Reaction.","Organic letters","2015","17","17","4168","4171","10.1021/acs.orglett.5b01916","","","1.54178","CuKα","","0.0584","0.0475","","","0.1353","0.1618","","","","","","1.097","","","","has coordinates","154792","2020-10-21","18:00:00",""
"1529401","21.491","0.0004","13.7296","0.0003","29.3488","0.0006","90","","106.144","0.002","90","","8318.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H41 B F2 N2 -","- C55 H40.52 B F2 N2 -","- C440 H324.16 B8 F16 N16 -","8","1","","Chua, Ming Hui; Huang, Kuo-Wei; Xu, Jianwei; Wu, Jishan","Unusual Intramolecular Hydrogen Transfer in 3,5-Di(triphenylethylenyl) BODIPY Synthesis and 1,2-Migratory Shift in Subsequent Scholl Type Reaction.","Organic letters","2015","17","17","4168","4171","10.1021/acs.orglett.5b01916","","","0.71073","MoKα","","0.0626","0.0604","","","0.1551","0.1582","","","","","","1.082","","","","has coordinates,has disorder","154792","2020-10-21","18:00:00",""
"1529402","5.225","0.0004","13.44","0.0011","11.8487","0.001","90","","90.133","0.002","90","","832.06","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","wd154","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C38 H40 Br2 N2 O2 -","2","1","","Dziechciejewski, Wojciech J.; Weber, Regina; Sowada, Oliver; Boysen, Mike M. K.","Cycloalkene Carbonitriles in Rhodium-Catalyzed 1,4-Addition and Formal Synthesis of Vabicaserin.","Organic letters","2015","17","17","4132","4135","10.1021/acs.orglett.5b01849","","","0.71073","MoKα","","0.0485","0.0464","","","0.1197","0.1215","","","","","","1.087","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529420","13.1195","0.0009","25.1207","0.0017","6.0786","0.0004","90","","103.299","0.007","90","","1949.6","0.2","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H23 Cl F2 N2 O -","- C21 H23 Cl F2 N2 O -","- C84 H92 Cl4 F8 N8 O4 -","4","1","","Chen, Qiao; Zhou, Jiawei; Wang, Yanan; Wang, Chao; Liu, Xihong; Xu, Zhaoqing; Lin, Li; Wang, Rui","Transition-Metal-Free Dehydrosilylative Difluoroamidation of Tetrahydroisoquinolines under Mild Conditions.","Organic letters","2015","17","17","4212","4215","10.1021/acs.orglett.5b01997","","x-ray","0.71073","MoKα","","0.0519","0.0412","","","0.0815","0.0889","","","","","","1.044","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529421","5.917","0.0015","7.864","0.002","13.651","0.003","90","","101.24","0.003","90","","623","0.3","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C26 H36 O8 -","2","1","","Rybak, Taras; Hall, Dennis G.","Stereoselective and Regiodivergent Allylic Suzuki-Miyaura Cross-Coupling of 2-Ethoxydihydropyranyl Boronates: Synthesis and Confirmation of Absolute Stereochemistry of Diospongin B.","Organic letters","2015","17","17","4156","4159","10.1021/acs.orglett.5b01906","","","0.71073","MoKα","","0.0521","0.0407","","","0.0949","0.0997","","","","","","1.035","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529422","9.7101","0.0004","10.6909","0.0005","23.0359","0.001","90","","92.6548","0.0019","90","","2388.78","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","ethyl 2,3-dideoxy-3-phenylpentopyranoside","","- C13 H18 O3 -","- C13 H18 O3 -","- C104 H144 O24 -","8","2","","Rybak, Taras; Hall, Dennis G.","Stereoselective and Regiodivergent Allylic Suzuki-Miyaura Cross-Coupling of 2-Ethoxydihydropyranyl Boronates: Synthesis and Confirmation of Absolute Stereochemistry of Diospongin B.","Organic letters","2015","17","17","4156","4159","10.1021/acs.orglett.5b01906","","","1.54178","CuKα","","0.0369","0.0358","","","0.0962","0.0971","","","","","","1.036","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529423","18.021","0.004","10.891","0.002","18.559","0.004","90","","103.69","0.03","90","","3539","1.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Cl2 Ir N2 O5 -","- C42 H33 Cl2 Ir N2 O5 -","- C168 H132 Cl8 Ir4 N8 O20 -","4","1","","Zhou, Tao; Li, Liubo; Li, Bin; Song, Haibin; Wang, Baiquan","Ir(III)-Catalyzed Oxidative Coupling of NH Isoquinolones with Benzoquinone.","Organic letters","2015","17","17","4204","4207","10.1021/acs.orglett.5b01974","","","0.71073","MoKα","","0.0409","0.0344","","","0.0922","0.0964","","","","","","1.11","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529424","10.069","0.002","10.87","0.002","12.021","0.002","71.67","0.03","82.11","0.03","82.87","0.03","1232.5","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cl2 N2 O5 -","- C28 H18 Cl2 N2 O5 -","- C56 H36 Cl4 N4 O10 -","2","1","","Zhou, Tao; Li, Liubo; Li, Bin; Song, Haibin; Wang, Baiquan","Ir(III)-Catalyzed Oxidative Coupling of NH Isoquinolones with Benzoquinone.","Organic letters","2015","17","17","4204","4207","10.1021/acs.orglett.5b01974","","","0.71073","MoKα","","0.1183","0.0617","","","0.1778","0.2113","","","","","","1.06","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529448","11.1941","0.0017","11.9877","0.0018","12.3151","0.0019","117.921","0.002","101.02","0.002","90.422","0.002","1424.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Organics","","- C15 H18 Cl N O2 -","- C15 H18 Cl N O2 -","- C60 H72 Cl4 N4 O8 -","4","2","","Deng, Yongming; Jing, Changcheng; Zavalij, Peter Y.; Doyle, Michael P.","Hg(OTf)2 Catalyzed Intramolecular 1,4-Addition of Donor-Acceptor Cyclopropenes to Arenes.","Organic letters","2015","17","17","4312","4315","10.1021/acs.orglett.5b02129","","","0.71073","MoKα","","0.0641","0.0467","","","0.0928","0.1019","","","","","","1.005","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529454","9.9296","0.0005","13.1794","0.0007","24.2673","0.0012","90","","90","","90","","3175.8","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NZ-105 free form","efonidipine","","- C34 H38 N3 O7 P -","- C34 H38 N3 O7 P -","- C136 H152 N12 O28 P4 -","4","1","","Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.","Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate","CrystEngComm","2015","17","38","7430","","10.1039/C5CE00751H","","","1.54178","CuKα","","0.0615","0.0418","","","0.1066","0.1349","","","","","","0.858","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529455","11.4763","0.0011","11.9281","0.0012","15.1054","0.0015","87.156","0.005","78.155","0.005","64.918","0.004","1831.3","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","NZ-105","efonidipine hydrochloride ethanolate","","- C36 H45 Cl N3 O8 P -","- C36 H44 Cl N3 O8 P -","- C72 H88 Cl2 N6 O16 P2 -","2","1","","Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.","Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate","CrystEngComm","2015","17","38","7430","","10.1039/C5CE00751H","","","1.54178","CuKα","","0.0477","0.0433","","","0.1418","0.1533","","","","","","1.086","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1529456","19.0391","0.0002","19.0391","0.0002","8.0073","0.0002","90","","90","","90","","2902.54","0.08","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C14 H13 N O5 Pb -","- C14 H13 N O5 Pb -","- C112 H104 N8 O40 Pb8 -","8","1","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","A new small molecule gelator and 3D framework ligator of lead(ii)","CrystEngComm","2015","17","42","8139","","10.1039/C5CE01689D","","","0.71073","MoKα","","0.0379","0.0283","","","0.0409","0.043","","","","","","1.052","","","","has coordinates","171098","2020-10-21","18:00:00",""
"1529469","6.212","0.002","12.231","0.003","28.133","0.007","90","","90","","90","","2137.5","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N O3 -","- C22 H35 N O3 -","- C88 H140 N4 O12 -","4","1","","Zhang, Dewu; Tao, Xiaoyu; Chen, Ridao; Liu, Jimei; Li, Li; Fang, Xiaomei; Yu, Liyan; Dai, Jungui","Pericoannosin A, a Polyketide Synthase-Nonribosomal Peptide Synthetase Hybrid Metabolite with New Carbon Skeleton from the Endophytic Fungus Periconia sp.","Organic letters","2015","17","17","4304","4307","10.1021/acs.orglett.5b02123","","","1.54187","CuKα","","0.0404","0.0391","","","0.1037","0.1049","","","","","","1.044","","","","has coordinates","154787","2020-10-21","18:00:00",""
"1529470","12.515","0.003","14.907","0.002","45.898","0.006","90","","90","","90","","8563","3","293","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 N O3.5 -","- C22 H33 N O3.5 -","- C352 H528 N16 O56 -","16","4","","Zhang, Dewu; Tao, Xiaoyu; Chen, Ridao; Liu, Jimei; Li, Li; Fang, Xiaomei; Yu, Liyan; Dai, Jungui","Pericoannosin A, a Polyketide Synthase-Nonribosomal Peptide Synthetase Hybrid Metabolite with New Carbon Skeleton from the Endophytic Fungus Periconia sp.","Organic letters","2015","17","17","4304","4307","10.1021/acs.orglett.5b02123","","","1.54178","CuKα","","0.0719","0.06","","","0.1566","0.1713","","","","","","1.083","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529472","12.808","0.013","24.306","0.008","7.7275","0.0017","90","","90","","90","","2406","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Cd3(N4CCH2COO)2(OH)2]n","[Cd3(N4CCH2COO)2(OH)2]n","","- C6 H6 Cd3 N8 O6 -","- C6 H4 Cd3 N8 O6 -","- C48 H32 Cd24 N64 O48 -","8","0.5","","Wu, Mei-Feng; Shen, Ting-Ting; He, Shuai; Wu, Ke-Qin; Wang, Shuai-Hua; Liu, Zhi-Fa; Zheng, Fa-Kun; Guo, Guo-Cong","An unprecedented organic‒inorganic hybrid material with an I3O3framework based on cadmium hydroxide and in situ generated 1H-tetrazolate-5-acetic acid","CrystEngComm","2015","17","39","7473","","10.1039/C5CE01347J","","","0.71073","MoKα","","0.0236","0.0193","","","0.0304","0.0316","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529473","7.7823","0.0008","10.8987","0.0012","15.2414","0.0018","72.781","0.01","83.016","0.009","85.094","0.009","1224","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N5 O4 -","- C28 H29 N5 O4 -","- C56 H58 N10 O8 -","2","1","","Samanta, Ritwik; Kumar, B. Sathish; Panda, Pradeepta K.","Calix[4]pyrroles with Shortest Possible Strap: Exclusively Selective toward Fluoride Ion.","Organic letters","2015","17","17","4140","4143","10.1021/acs.orglett.5b01866","","","0.71073","MoKα","","0.1535","0.0722","","","0.1383","0.1848","","","","","","1.039","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529503","8.374","0.003","10.228","0.004","16.064","0.007","99.954","0.007","98.372","0.007","101.416","0.007","1305.1","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 Cl3 F3 N2 O2 S -","- C25 H22 Cl3 F3 N2 O2 S -","- C50 H44 Cl6 F6 N4 O4 S2 -","2","1","","Wei, Qiang; Chen, Jia-Rong; Hu, Xiao-Qiang; Yang, Xiao-Chen; Lu, Bin; Xiao, Wen-Jing","Photocatalytic Radical Trifluoromethylation/Cyclization Cascade: Synthesis of CF3-Containing Pyrazolines and Isoxazolines.","Organic letters","2015","17","18","4464","4467","10.1021/acs.orglett.5b02118","","","0.71073","MoKα","","0.0983","0.0618","","","0.1519","0.1806","","","","","","1.016","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529677","15.11","","7.155","","11.05","","90","","90","","90","","1194.64","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- F6 Na4 O8 S2 Sb2 -","- F6 Na4 O8 S2 Sb2 -","- F24 Na16 O32 S8 Sb8 -","4","0.25","","Bonnet, B.; Fourcade, R.; Ducourant, M.B.; Mascherpa, G.","Sur un complexe bidendate ponte entre le sulfate de sodium et le trifluorure d'antimoine","Revue de Chimie Minerale","1980","17","","88","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:56",""
"1529689","5.854","","5.832","","5.901","","70.21","","80.3","","75.7","","182.894","","","","","","","","","","","","","2","P -1","-P 1","2","","Ca As3","","- As3 Ca -","- As3 Ca -","- As6 Ca2 -","2","1","","Brice, J.F.; Courtois, A.; Aubry, J.; Protas, J.","Preparation et etude structurale d'un triarseniure de calcium: Ca As3","Journal of Solid State Chemistry","1976","17","","393","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529783","7.43","","7.43","","17.44","","90","","90","","120","","833.786","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","K Fe3 (O H)6 (Cr O4)2","","- Cr2 Fe3 H6 K O14 -","- Cr2 Fe3 K O14 -","- Cr6 Fe9 K3 O42 -","3","0.0833333","","Cudennec, Y.; Riou, A.; Bonnin, A.; Caillet, P.","Etudes cristallographiques et infrarouges d'hydroxychromates de fer et d'aluminium de structure alunite","Revue de Chimie Minerale","1980","17","","158","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529784","7.06","","7.06","","17.25","","90","","90","","120","","744.61","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Na Al3 (O H)6 (Cr O4)2","","- Al3 Cr2 H6 Na O14 -","- Al3 Cr2 Na O14 -","- Al9 Cr6 Na3 O42 -","3","0.0833333","","Cudennec, Y.; Riou, A.; Bonnin, A.; Caillet, P.","Etudes cristallographiques et infrarouges d'hydroxychromates de fer et d'aluminium de structure alunite","Revue de Chimie Minerale","1980","17","","158","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529847","9.702","0.003","7.4213","0.0019","12.862","0.004","90","","103.265","0.005","90","","901.4","0.5","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C42 H44 N4 O4 -","2","1","","Komine, Keita; Nomura, Yusuke; Ishihara, Jun; Hatakeyama, Susumi","Total Synthesis of (-)-N-Methylwelwitindolinone C Isothiocyanate Based on a Pd-Catalyzed Tandem Enolate Coupling Strategy.","Organic letters","2015","17","15","3918","3921","10.1021/acs.orglett.5b01952","","","0.71075","MoKα","","","0.0396","","","","0.0959","","","","","","1.05","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529848","13.5566","0.0009","9.9192","0.0006","12.1878","0.0009","90","","114.983","0.001","90","","1485.55","0.17","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Sakata, Juri; Ando, Yoshio; Ohmori, Ken; Suzuki, Keisuke","Synthetic Study on Naphthospironone A: Construction of Benzobicyclo[3.2.1]octene Skeleton with Oxaspirocycle.","Organic letters","2015","17","15","3746","3749","10.1021/acs.orglett.5b01732","","","0.71075","MoKα","","0.0654","0.0618","","","0.1477","0.1519","","","","","","1.113","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529849","9.8958","0.0004","32.0974","0.0012","20.6189","0.0009","90","","92.873","0.002","90","","6540.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 O6 Si -","- C34 H47 O6 Si -","- C272 H376 O48 Si8 -","8","2","","Sakata, Juri; Ando, Yoshio; Ohmori, Ken; Suzuki, Keisuke","Synthetic Study on Naphthospironone A: Construction of Benzobicyclo[3.2.1]octene Skeleton with Oxaspirocycle.","Organic letters","2015","17","15","3746","3749","10.1021/acs.orglett.5b01732","","","0.71075","MoKα","","0.0934","0.0642","","","0.1518","0.1698","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529850","15.027","0.003","8.8571","0.0017","11.123","0.003","90","","96.542","0.002","90","","1470.8","0.6","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br F2 N3 -","- C16 H12 Br F2 N3 -","- C64 H48 Br4 F8 N12 -","4","1","","Okusu, Satoshi; Tokunaga, Etsuko; Shibata, Norio","Difluoromethylation of Terminal Alkynes by Fluoroform.","Organic letters","2015","17","15","3802","3805","10.1021/acs.orglett.5b01778","","","0.71075","MoKα","","","0.0732","","","","0.2197","","","","","","1.134","","","","has coordinates","154509","2020-10-21","18:00:00",""
"1529851","17.957","0.004","6.8848","0.0014","22.81","0.005","90","","99.781","0.003","90","","2779","1","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Br F2 N O -","- C16 H10 Br F2 N O -","- C128 H80 Br8 F16 N8 O8 -","8","2","","Okusu, Satoshi; Tokunaga, Etsuko; Shibata, Norio","Difluoromethylation of Terminal Alkynes by Fluoroform.","Organic letters","2015","17","15","3802","3805","10.1021/acs.orglett.5b01778","","","0.71075","MoKα","","","0.0681","","","","0.2071","","","","","","1.105","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529852","19.3661","0.0007","14.8237","0.0006","28.5913","0.0013","90","","90","","90","","8207.9","0.6","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C43 H37 Br2 Cl Cu N3 O4 P2 -","- C43 H37 Br2 Cl Cu N3 O4 P2 -","- C344 H296 Br16 Cl8 Cu8 N24 O32 P16 -","8","2","","Ramakrishna, Kankanala; Murali, Mani; Sivasankar, Chinnappan","Chemoselective Carbene insertion into the N-H Bond over O-H Bond Using a Well-Defined Single Site (P-P)Cu(I) Catalyst.","Organic letters","2015","17","15","3814","3817","10.1021/acs.orglett.5b01776","","","0.7107","MoKα","","0.1201","0.0728","","","0.1676","0.1992","","","","","","1.021","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529853","5.7487","0.0005","9.5873","0.0008","13.7161","0.0011","85.932","0.007","86.522","0.007","90.042","0.007","752.65","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Ramakrishna, Kankanala; Murali, Mani; Sivasankar, Chinnappan","Chemoselective Carbene insertion into the N-H Bond over O-H Bond Using a Well-Defined Single Site (P-P)Cu(I) Catalyst.","Organic letters","2015","17","15","3814","3817","10.1021/acs.orglett.5b01776","","","0.71073","MoKα","","0.1299","0.0635","","","0.1427","0.178","","","","","","1.025","","","","has coordinates","154511","2020-10-21","18:00:00",""
"1529854","7.9153","0.0009","11.4655","0.0013","18.152","0.002","90","","90","","90","","1647.3","0.3","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N O3 S -","- C18 H16 Br N O3 S -","- C72 H64 Br4 N4 O12 S4 -","4","1","","Xiao, Yonglong; Wang, Jinxin; Xia, Wenjing; Shu, Shuangjie; Jiao, Shenchao; Zhou, Yu; Liu, Hong","γ-Carbon Activation through N-Heterocyclic Carbene/Brønsted Acids Cooperative Catalysis: A Highly Enantioselective Route to δ-Lactams.","Organic letters","2015","17","15","3850","3853","10.1021/acs.orglett.5b01827","","","0.71073","MoKα","","0.0505","0.0354","","","0.0679","0.0718","","","","","","0.989","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529855","9.919","0.002","19.032","0.004","11.221","0.002","90","","102.942","0.005","90","","2064.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N2 O S -","- C26 H18 N2 O S -","- C104 H72 N8 O4 S4 -","4","1","","Zhu, Yuelu; Li, Cheng; Zhang, Jidong; She, Mengyao; Sun, Wei; Wan, Kerou; Wang, Yaqi; Yin, Bin; Liu, Ping; Li, Jianli","A Facile FeCl3/I2-Catalyzed Aerobic Oxidative Coupling Reaction: Synthesis of Tetrasubstituted Imidazoles from Amidines and Chalcones.","Organic letters","2015","17","15","3872","3875","10.1021/acs.orglett.5b01854","","","0.71073","MoKα","","0.0993","0.051","","","0.089","0.1055","","","","","","1.008","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529856","9.724","0.003","11.142","0.003","12.91","0.004","98.826","0.005","103.604","0.005","112.844","0.005","1205.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Br N2 O -","- C29 H21 Br N2 O -","- C58 H42 Br2 N4 O2 -","2","1","","Zhu, Yuelu; Li, Cheng; Zhang, Jidong; She, Mengyao; Sun, Wei; Wan, Kerou; Wang, Yaqi; Yin, Bin; Liu, Ping; Li, Jianli","A Facile FeCl3/I2-Catalyzed Aerobic Oxidative Coupling Reaction: Synthesis of Tetrasubstituted Imidazoles from Amidines and Chalcones.","Organic letters","2015","17","15","3872","3875","10.1021/acs.orglett.5b01854","","","0.71073","MoKα","","0.1502","0.0613","","","0.1531","0.2146","","","","","","0.997","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529857","6.8305","0.0002","13.7709","0.0006","21.5589","0.0008","90","","90","","90","","2027.88","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O5 S -","- C20 H22 N2 O5 S -","- C80 H88 N8 O20 S4 -","4","1","","Rao, Wei-Hao; Yin, Xue-Song; Shi, Bing-Feng","Catalyst-Controlled Amino- versus Oxy-Acetoxylation of Urea-Tethered Alkenes: Efficient Synthesis of Cyclic Ureas and Isoureas.","Organic letters","2015","17","15","3758","3761","10.1021/acs.orglett.5b01741","","","0.71073","MoKα","","0.0532","0.0361","","","0.0772","0.0915","","","","","","1.005","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529858","5.9849","0.0003","8.35","0.0004","21.2894","0.001","90.789","0.002","92.849","0.002","107.436","0.006","1013.32","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O5 S -","- C20 H22 N2 O5 S -","- C40 H44 N4 O10 S2 -","2","1","","Rao, Wei-Hao; Yin, Xue-Song; Shi, Bing-Feng","Catalyst-Controlled Amino- versus Oxy-Acetoxylation of Urea-Tethered Alkenes: Efficient Synthesis of Cyclic Ureas and Isoureas.","Organic letters","2015","17","15","3758","3761","10.1021/acs.orglett.5b01741","","","0.71073","MoKα","","0.0989","0.0519","","","0.1305","0.1808","","","","","","1.001","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529859","12.075","0.0014","12.075","0.0014","26.601","0.003","90","","90","","120","","3358.9","0.7","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H17 Br F3 N O4 -","- C24 H17 Br F3 N O4 -","- C144 H102 Br6 F18 N6 O24 -","6","1","","Zhu, Yuanyuan; Li, Xiaoyuan; Chen, Qiao; Su, Jinhuan; Jia, Fengjing; Qiu, Shuai; Ma, Mingxia; Sun, Quantao; Yan, Wenjin; Wang, Kairong; Wang, Rui","Highly Enantioselective Cascade Reaction Catalyzed by Squaramides: the Synthesis of CF3-Containing Chromanes.","Organic letters","2015","17","15","3826","3829","10.1021/acs.orglett.5b01799","","","0.71073","MoKα","","0.098","0.0566","","","0.1192","0.1357","","","","","","1.008","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529860","10.916","0.002","12.171","0.002","27.176","0.005","90","","90","","90","","3610.6","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl F3 N O4 -","- C18 H13 Cl F3 N O4 -","- C144 H104 Cl8 F24 N8 O32 -","8","2","","Zhu, Yuanyuan; Li, Xiaoyuan; Chen, Qiao; Su, Jinhuan; Jia, Fengjing; Qiu, Shuai; Ma, Mingxia; Sun, Quantao; Yan, Wenjin; Wang, Kairong; Wang, Rui","Highly Enantioselective Cascade Reaction Catalyzed by Squaramides: the Synthesis of CF3-Containing Chromanes.","Organic letters","2015","17","15","3826","3829","10.1021/acs.orglett.5b01799","","","0.71073","MoKα","","0.088","0.0589","","","0.1249","0.1409","","","","","","1.004","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529861","8.3159","0.0007","9.4678","0.0007","23.6499","0.0018","90","","90","","90","","1862","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br F3 N O4 -","- C19 H15 Br F3 N O4 -","- C76 H60 Br4 F12 N4 O16 -","4","1","","Zhu, Yuanyuan; Li, Xiaoyuan; Chen, Qiao; Su, Jinhuan; Jia, Fengjing; Qiu, Shuai; Ma, Mingxia; Sun, Quantao; Yan, Wenjin; Wang, Kairong; Wang, Rui","Highly Enantioselective Cascade Reaction Catalyzed by Squaramides: the Synthesis of CF3-Containing Chromanes.","Organic letters","2015","17","15","3826","3829","10.1021/acs.orglett.5b01799","","","0.71073","MoKα","","0.0373","0.0307","","","0.0764","0.0799","","","","","","1.004","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529862","11.943","0.002","12.618","0.003","14.512","0.003","90","","90.2","0.03","90","","2186.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 F N3 O3 -","- C25 H22 F N3 O3 -","- C100 H88 F4 N12 O12 -","4","1","","Miao, Jinmin; Yang, Ke; Kurek, Martin; Ge, Haibo","Palladium-Catalyzed Site-Selective Fluorination of Unactivated C(sp(3))-H Bonds.","Organic letters","2015","17","15","3738","3741","10.1021/acs.orglett.5b01710","","","0.71073","MoKα","","0.1521","0.0676","","","0.1345","0.1626","","","","","","1.006","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529863","12.3364","0.0006","8.7782","0.0004","36.9717","0.0014","90","","90","","90","","4003.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C200 H208 O16 -","8","1","","Ackrill, Thomas D.; Sparkes, Hazel A.; Willis, Christine L.","Synthesis of Diarylheptanoid Scaffolds Inspired by Calyxins I and J.","Organic letters","2015","17","15","3884","3887","10.1021/acs.orglett.5b01848","","","0.71073","MoKα","","0.1412","0.0598","","","0.117","0.15","","","","","","0.999","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529864","7.0588","0.0002","11.869","0.0003","15.6316","0.0004","105.145","0.002","101.933","0.002","100.657","0.002","1196.58","0.06","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O2 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","","Ackrill, Thomas D.; Sparkes, Hazel A.; Willis, Christine L.","Synthesis of Diarylheptanoid Scaffolds Inspired by Calyxins I and J.","Organic letters","2015","17","15","3884","3887","10.1021/acs.orglett.5b01848","","","0.71073","MoKα","","0.0937","0.0521","","","0.105","0.1235","","","","","","1.03","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529865","14.7165","0.0004","5.7937","0.0001","33.4045","0.0008","90","","101.755","0.001","90","","2788.43","0.11","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 O5 -","- C35 H36 O5 -","- C140 H144 O20 -","4","1","","Ackrill, Thomas D.; Sparkes, Hazel A.; Willis, Christine L.","Synthesis of Diarylheptanoid Scaffolds Inspired by Calyxins I and J.","Organic letters","2015","17","15","3884","3887","10.1021/acs.orglett.5b01848","","","0.71073","MoKα","","0.0659","0.0416","","","0.0865","0.097","","","","","","1.011","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529866","9.2832","0.0019","10.302","0.002","12.39","0.002","76.387","0.004","83.994","0.005","64.267","0.004","1037.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N O3 S -","- C24 H23 N O3 S -","- C48 H46 N2 O6 S2 -","2","1","","Zhang, Xiaojuan; Han, Xiuling; Lu, Xiyan","Cationic Pd(II)-Catalyzed Cyclization of N-Tosyl-aniline Tethered Allenyl Aldehydes with Arylboronic Acids: Diastereo- and Enantioselective Synthesis of Tetrahydroquinoline Derivatives.","Organic letters","2015","17","15","3910","3913","10.1021/acs.orglett.5b01894","","","0.71073","MoKα","","0.0793","0.0515","","","0.1285","0.148","","","","","","1.026","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529867","17.622","0.005","17.622","0.005","37.634","0.011","90","","90","","120","","10121","5","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H60 Cl9 N6 O6 P3 -","- C66 H60 Cl9 N6 O6 P3 -","- C396 H360 Cl54 N36 O36 P18 -","6","0.333333","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.088","0.0459","","","0.1168","0.1465","","","","","","1.042","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529868","13.721","0.005","14.84","0.006","15.073","0.006","94.518","0.005","91.104","0.005","100.582","0.005","3006","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H65 N6 O8 P3 -","- C67 H65 N6 O8 P3 -","- C134 H130 N12 O16 P6 -","2","1","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.085","0.0455","","","0.1078","0.1235","","","","","","0.985","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529869","13.731","0.003","14.962","0.003","15.117","0.003","94.572","0.003","91.24","0.003","101.538","0.003","3031","1.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H63 N8 O6 P3 -","- C67 H63 N8 O6 P3 -","- C134 H126 N16 O12 P6 -","2","1","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.0903","0.0539","","","0.1387","0.1572","","","","","","1.046","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529870","12.58","0.004","13.197","0.004","19.419","0.006","80.816","0.005","80.935","0.004","69.837","0.004","2969.2","1.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H65 N6 O7 P3 -","- C66 H65 N6 O7 P3 -","- C132 H130 N12 O14 P6 -","2","1","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.0931","0.0593","","","0.1702","0.2191","","","","","","0.786","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529871","13.914","0.003","13.914","0.003","28.339","0.007","90","","90","","120","","4751.4","1.9","100","","100","","","","","","","","","5","P 31","P 31","144","","","","- C63 H57 N6 O9 P3 -","- C63 H57 N6 O9 P3 -","- C189 H171 N18 O27 P9 -","3","1","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.1493","0.1137","","","0.2886","0.3204","","","","","","1.196","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529872","13.123","0.002","13.188","0.002","19.257","0.003","73.751","0.002","79.26","0.002","66.588","0.002","2925.5","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H63 N6 O7 P3 S -","- C65 H63 N6 O7 P3 S -","- C130 H126 N12 O14 P6 S2 -","2","1","","Katagiri, Kosuke; Komagawa, Shinsuke; Uchiyama, Masanobu; Yamaguchi, Kentaro; Azumaya, Isao","Control of a Chiral Property of a Calix[3]aramide: The Racemization Suppressed by Intramolecular Cyclic Hydrogen Bonds and DMSO-H2O System-Induced Spontaneous Resolution.","Organic letters","2015","17","15","3650","3653","10.1021/acs.orglett.5b01455","","","0.71073","MoKα","","0.0531","0.0378","","","0.0914","0.1017","","","","","","1.04","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529873","11.5233","0.0013","7.6374","0.0008","11.6452","0.0013","90","","110.244","0.002","90","","961.56","0.18","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","1","","Reddy, B. V. Subba; Reddy, C. Ravikumar; Reddy, M. Rajashekhar; Yarlagadda, Suresh; Sridhar, B.","Substrate Directed C-H Activation for the Synthesis of Benzo[c]cinnolines through a Sequential C-C and C-N Bond Formation.","Organic letters","2015","17","15","3730","3733","10.1021/acs.orglett.5b01717","","","0.71073","MoKα","","0.0621","0.0601","","","0.1826","0.1846","","","","","","1.152","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529874","5.968","0.0009","10.51","0.001","25.663","0.002","90","","90","","90","","1609.7","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icacina9","","","- C20 H18 O7 -","- C20 H18 O7 -","- C80 H72 O28 -","4","1","","Zhao, Ming; Onakpa, Monday M.; Santarsiero, Bernard D.; Huang, Xiao-Jun; Zhang, Xiao-Qi; Chen, Jia; Cheng, Jian-Jun; Longnecker, Richard; Che, Chun-Tao","Icacinlactone H and Icacintrichantholide from the Tuber of Icacina trichantha.","Organic letters","2015","17","15","3834","3837","10.1021/acs.orglett.5b01806","","","0.72925","Synchrotron","","0.0494","0.0491","","","0.1243","0.1247","","","","","","1.065","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529875","6.8018","0.0003","20.5957","0.0009","12.4023","0.0005","90","","90","","90","","1737.41","0.13","100","0.1","100","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","Icacinlactone","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Zhao, Ming; Onakpa, Monday M.; Santarsiero, Bernard D.; Huang, Xiao-Jun; Zhang, Xiao-Qi; Chen, Jia; Cheng, Jian-Jun; Longnecker, Richard; Che, Chun-Tao","Icacinlactone H and Icacintrichantholide from the Tuber of Icacina trichantha.","Organic letters","2015","17","15","3834","3837","10.1021/acs.orglett.5b01806","","","1.54178","CuKα","","0.0721","0.0721","","","0.1924","0.1924","","","","","","1.221","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529876","9.578","0.002","10.805","0.003","12.575","0.002","102.754","0.018","97.366","0.015","93.699","0.019","1253","0.5","293.18","0.1","293.18","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 F3 O7 S -","- C23 H27 F3 O7 S -","- C46 H54 F6 O14 S2 -","2","1","","Qiu, Yi-Feng; Zhu, Xin-Yu; Li, Ying-Xiu; He, Yu-Tao; Yang, Fang; Wang, Jia; Hua, Hui-Liang; Zheng, Lan; Wang, Li-Chen; Liu, Xue-Yuan; Liang, Yong-Min","AgSCF3-Mediated Trifluoromethylthiolation/Radical Cascade Cyclization of 1,6-Enynes.","Organic letters","2015","17","15","3694","3697","10.1021/acs.orglett.5b01657","","x-ray","0.71073","MoKα","","0.1711","0.0766","","","0.1432","0.2088","","","","","","1.015","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529877","5.4961","0.0005","23.714","0.0019","17.6522","0.0013","90","","96.871","0.007","90","","2284.2","0.3","295.35","0.1","295.35","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl F3 N O2 S2 -","- C22 H21 Cl F3 N O2 S2 -","- C88 H84 Cl4 F12 N4 O8 S8 -","4","1","","Qiu, Yi-Feng; Zhu, Xin-Yu; Li, Ying-Xiu; He, Yu-Tao; Yang, Fang; Wang, Jia; Hua, Hui-Liang; Zheng, Lan; Wang, Li-Chen; Liu, Xue-Yuan; Liang, Yong-Min","AgSCF3-Mediated Trifluoromethylthiolation/Radical Cascade Cyclization of 1,6-Enynes.","Organic letters","2015","17","15","3694","3697","10.1021/acs.orglett.5b01657","","x-ray","0.71073","MoKα","","0.2562","0.082","","","0.1621","0.2684","","","","","","0.992","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529878","9.9242","0.0004","15.9342","0.0006","10.0614","0.0004","90","","106.109","0.004","90","","1528.58","0.11","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F3 O3 S -","- C16 H15 F3 O3 S -","- C64 H60 F12 O12 S4 -","4","1","","Qiu, Yi-Feng; Zhu, Xin-Yu; Li, Ying-Xiu; He, Yu-Tao; Yang, Fang; Wang, Jia; Hua, Hui-Liang; Zheng, Lan; Wang, Li-Chen; Liu, Xue-Yuan; Liang, Yong-Min","AgSCF3-Mediated Trifluoromethylthiolation/Radical Cascade Cyclization of 1,6-Enynes.","Organic letters","2015","17","15","3694","3697","10.1021/acs.orglett.5b01657","","x-ray","0.71073","MoKα","","0.0611","0.0433","","","0.0943","0.1049","","","","","","1.022","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529879","6.1858","0.001","17.934","0.003","11.7423","0.0019","90","","101.212","0.003","90","","1277.8","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C56 H48 Br4 N4 O4 -","4","1","","Haidzinskaya, Tatsiana; Kerchner, Hilary A.; Liu, Jixin; Watson, Mary P.","Diastereoselective, Zinc-Catalyzed Alkynylation of α-Bromo Oxocarbenium Ions.","Organic letters","2015","17","15","3857","3859","10.1021/acs.orglett.5b01838","","","0.71073","MoKα","","0.0711","0.0502","","","0.11","0.1193","","","","","","1.043","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529880","5.7983","0.0001","8.1321","0.0002","24.8527","0.0006","90","","90.153","0.001","90","","1171.86","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br O3 -","- C12 H13 Br O3 -","- C48 H52 Br4 O12 -","4","1","","Haidzinskaya, Tatsiana; Kerchner, Hilary A.; Liu, Jixin; Watson, Mary P.","Diastereoselective, Zinc-Catalyzed Alkynylation of α-Bromo Oxocarbenium Ions.","Organic letters","2015","17","15","3857","3859","10.1021/acs.orglett.5b01838","","","0.71073","MoKα","","0.027","0.023","","","0.0575","0.0593","","","","","","1.029","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529881","6.6041","0.0009","7.3454","0.001","25.445","0.003","90","","90.254","0.003","90","","1234.3","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","","Komkov, Alexander V.; Komendantova, Anna S.; Menchikov, Leonid G.; Chernoburova, Elena I.; Volkova, Yulia A.; Zavarzin, Igor V.","A Straightforward Approach toward Multifunctionalized Pyridazines via Imination/Electrocyclization.","Organic letters","2015","17","15","3734","3737","10.1021/acs.orglett.5b01718","","","0.71073","MoKα","","0.0675","0.0491","","","0.13","0.1415","","","","","","1.011","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529882","7.4962","0.0003","17.6328","0.0008","16.4671","0.0007","90","","93.865","0.004","90","","2171.65","0.16","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 F3 N2 -","- C27 H19 F3 N2 -","- C108 H76 F12 N8 -","4","1","","Cheng, Guolin; Weng, Yunxiang; Yang, Xifa; Cui, Xiuling","Base-Promoted N-Pyridylation of Heteroarenes Using N-Propargyl Enaminones as Equivalents of Pyridine Scaffolds.","Organic letters","2015","17","15","3790","3793","10.1021/acs.orglett.5b01733","","","1.54184","CuKα","","0.0664","0.0517","","","0.1453","0.1602","","","","","","1.039","","","","has coordinates,has disorder","301777","2025-08-18","15:08:08",""
"1529883","7.3862","0.0003","11.9598","0.0005","17.2782","0.0007","90","","90","","90","","1526.31","0.11","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Cheng, Guolin; Weng, Yunxiang; Yang, Xifa; Cui, Xiuling","Base-Promoted N-Pyridylation of Heteroarenes Using N-Propargyl Enaminones as Equivalents of Pyridine Scaffolds.","Organic letters","2015","17","15","3790","3793","10.1021/acs.orglett.5b01733","","","1.54184","CuKα","","0.0374","0.0348","","","0.0941","0.0973","","","","","","1.026","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529884","21.3348","0.0007","10.673","0.0002","18.3612","0.0006","90","","110.777","0.004","90","","3909.1","0.2","291","2","291.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C208 H160 N16 -","8","1","","Cheng, Guolin; Weng, Yunxiang; Yang, Xifa; Cui, Xiuling","Base-Promoted N-Pyridylation of Heteroarenes Using N-Propargyl Enaminones as Equivalents of Pyridine Scaffolds.","Organic letters","2015","17","15","3790","3793","10.1021/acs.orglett.5b01733","","","1.54184","CuKα","","0.0512","0.0406","","","0.1105","0.119","","","","","","1.045","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529885","13.4407","0.0011","21.762","0.002","8.4346","0.0008","90","","99.174","0.009","90","","2435.5","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N6 -","- C32 H22 N6 -","- C128 H88 N24 -","4","1","","Constantinides, Christos P.; Zissimou, Georgia A.; Berezin, Andrey A.; Ioannou, Theodosia A.; Manoli, Maria; Tsokkou, Demetra; Theodorou, Eleni; Hayes, Sophia C.; Koutentis, Panayiotis A.","Tetraphenylhexaazaanthracenes: 16π Weakly Antiaromatic Species with Singlet Ground States.","Organic letters","2015","17","16","4026","4029","10.1021/acs.orglett.5b01923","","","1.54184","CuKα","","0.1282","0.0622","","","0.1594","0.2166","","","","","","0.919","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529886","10.2147","0.0013","11.39","0.0014","12.1881","0.0015","68.285","0.002","71.067","0.002","83.51","0.003","1246.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 F3 N O4 S -","- C28 H24 F3 N O4 S -","- C56 H48 F6 N2 O8 S2 -","2","1","","Xin, Xiaoyi; Wang, Haolong; Li, Xincheng; Wang, Dongping; Wan, Boshun","Base-Catalyzed Selective Synthesis of 2-Azabicyclo[3.2.0]hept-2-enes and Sulfonyl Vinyl-Substituted Pyrroles from 3-Aza-1,5-enynes.","Organic letters","2015","17","16","3944","3947","10.1021/acs.orglett.5b01474","","","0.71073","MoKα","","0.0613","0.0468","","","0.1282","0.1401","","","","","","1.036","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1530000","3.763","","3.763","","6.118","","90","","90","","120","","75.025","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Fe0.16 Zr Se1.94","","- Fe0.16 Se1.94 Zr -","- Fe0.16 Se1.94 Zr -","- Fe0.16 Se1.94 Zr -","1","0.0833333","","Gleizes, A.; Ibers, J.A.; Revelli, J.","Structures of a semiconducting and a metallic phase in the Fe Y Zr Se2 system","Journal of Solid State Chemistry","1976","17","","363","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530001","6.011","","6.011","","12.787","","90","","90","","120","","400.122","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Fe0.4 Zr Se2","","- Fe0.4 Se2 Zr -","- Fe0.396667 Se2 Zr -","- Fe2.38 Se12 Zr6 -","6","0.5","","Gleizes, A.; Revelli, J.; Ibers, J.A.","Structures of a semiconducting and a metallic phase in the Fe Y Zr Se2 system","Journal of Solid State Chemistry","1976","17","","363","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530003","10.072","","12.148","","12.722","","90","","90","","90","","1556.6","","","","","","","","","","","","","4","P m n n","-P 2n 2","58","","Na7 (H3 O) (Nb6 O19) (H2 O)14","","- H31 Na7 Nb6 O34 -","- Na7 Nb6 O34 -","- Na14 Nb12 O68 -","2","0.25","","Goiffon, A.; Maurin, M.; Philippot, E.","Structure cristalline du niobate 7/6 de sodium (Na7) (H3 O) Nb6 O19, (H2 O)14","Revue de Chimie Minerale","1980","17","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530101","10.004","","5.04","","9.854","","90","","137.9","","90","","333.095","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","V3 O5","","- O5 V3 -","- O5 V3 -","- O20 V12 -","4","1","","Horiuchi, H.; Morimoto, N.; Tokonami, M.","Crystal structures of Vn O2n-1 (2<n<7)","Journal of Solid State Chemistry","1976","17","","407","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530102","5.448","","6.998","","30.063","","41","","72.5","","108.9","","340.089","","","","","","","","","","","","","2","P -1","-P 1","2","","V6 O11","","- O11 V6 -","- O11 V6 -","- O22 V12 -","2","1","","Horiuchi, H.; Morimoto, N.; Tokonami, M.","Crystal structures of Vn O2n-1 (2<n<7)","Journal of Solid State Chemistry","1976","17","","407","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","155077","2020-10-21","18:00:00",""
"1530103","5.439","","7.005","","35.516","","40.9","","72.6","","109","","397.03","","","","","","","","","","","","","2","P -1","-P 1","2","","V7 O13","","- O13 V7 -","- O13 V7 -","- O26 V14 -","2","1","","Horiuchi, H.; Morimoto, N.; Tokonami, M.","Crystal structures of Vn O2n-1 (2<N<7)","Journal of Solid State Chemistry","1976","17","","407","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","155078","2020-10-21","18:00:00",""
"1530387","16.472","0.002","18.563","0.0004","11.996","0.002","90","","92.581","0.01","90","","3664.3","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H59 N O4 Si2 -","- C32 H59 N O4 Si2 -","- C128 H236 N4 O16 Si8 -","4","2","","Fanelli, Roberto; Salah, Khoubaib Ben Haj; Inguimbert, Nicolas; Didierjean, Claude; Martinez, Jean; Cavelier, Florine","Access to α,α-Disubstituted Disilylated Amino Acids and Their Use in Solid-Phase Peptide Synthesis.","Organic letters","2015","17","18","4498","4501","10.1021/acs.orglett.5b02175","","","1.54184","CuKα","","0.091","0.0711","","","0.1853","0.2092","","","","","","1.033","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530388","13.4257","0.0011","10.9838","0.0007","14.5635","0.0011","90","","109.954","0.009","90","","2018.7","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O3 S -","- C22 H22 N2 O3 S -","- C88 H88 N8 O12 S4 -","4","1","","Wang, Chen; Zhang, Haojie; Lang, Bo; Ren, Anni; Lu, Ping; Wang, Yanguang","Rh-Catalyzed Reactions of 3-Diazoindolin-2-imines: Synthesis of Pyridoindoles and Tetrahydrofuropyrroloindoles.","Organic letters","2015","17","18","4412","4415","10.1021/acs.orglett.5b01943","","","0.71073","MoKα","","0.0772","0.0506","","","0.1324","0.1543","","","","","","1.037","","","","has coordinates","160561","2020-10-21","18:00:00",""
"1530389","7.6543","0.0009","11.1582","0.0012","16.8881","0.0016","90","","101.198","0.011","90","","1414.9","0.3","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Wang, Chen; Zhang, Haojie; Lang, Bo; Ren, Anni; Lu, Ping; Wang, Yanguang","Rh-Catalyzed Reactions of 3-Diazoindolin-2-imines: Synthesis of Pyridoindoles and Tetrahydrofuropyrroloindoles.","Organic letters","2015","17","18","4412","4415","10.1021/acs.orglett.5b01943","","","0.71073","MoKα","","0.0671","0.0467","","","0.1126","0.1297","","","","","","1.032","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530390","7.3491","0.0002","11.3041","0.0004","30.6417","0.0011","90","","90","","90","","2545.56","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C116 H176 O16 -","4","1","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.0421","0.0409","","","0.1073","0.1084","","","","","","1.032","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530391","7.3331","0.0001","10.1624","0.0002","19.3573","0.0003","90","","97.23","","90","","1431.07","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O5 -","- C32 H48 O5 -","- C64 H96 O10 -","2","1","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.1036","0.1026","","","0.2723","0.2762","","","","","","1.366","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530392","7.357","0.0003","11.5004","0.0005","15.8083","0.0006","101.789","0.002","102.383","0.002","90.228","0.001","1277.24","0.09","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C58 H88 O8 -","2","2","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.0967","0.0954","","","0.2396","0.2429","","","","","","1.183","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530393","7.9562","0.0003","33.6801","0.0014","12.617","0.0005","90","","107.429","0.002","90","","3225.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H54 O6 -","- C34 H54 O6 -","- C136 H216 O24 -","4","2","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.0701","0.0663","","","0.1867","0.1902","","","","","","1.058","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530397","26.362","0.005","16.67","0.003","19.521","0.004","90","","108.29","0.03","90","","8145","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H99 Co3 Fe2 N21 O22 -","- C59 H63 Co3 Fe2 N21 O22 -","- C236 H252 Co12 Fe8 N84 O88 -","4","0.5","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1507","0.0638","","","0.1595","0.1747","","","","","","1.203","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530398","17.276","0.004","29.697","0.006","31.436","0.006","90","","98.5","0.03","90","","15951","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H164 Co6 Fe4 N42 O31 -","- C114 H126 Co6 Fe4 N42 O29 -","- C456 H504 Co24 Fe16 N168 O116 -","4","1","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1748","0.0742","","","0.1831","0.2116","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1530399","10.187","0.002","42.792","0.009","17.083","0.003","90","","101.5","0.03","90","","7297","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H75 Co3 Fe2 N21 O12 -","- C57 H63 Co3 Fe2 N21 O11 -","- C228 H252 Co12 Fe8 N84 O44 -","4","1","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1999","0.094","","","0.2726","0.3198","","","","","","0.934","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1530870","12.03","","3.693","","6.42","","90","","106.1","","90","","274.033","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","V O2","","- O2 V -","- O2 V -","- O16 V8 -","8","1","","Theobald, F.R.; Bernard, J.; Cabala, R.","Essai sur la structure de V O2 (B)","Journal of Solid State Chemistry","1976","17","","431","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530875","5.849","","12.793","","5.514","","90","","90","","90","","412.592","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ba Sb O2 Cl","","- Ba Cl O2 Sb -","- Ba Cl O2 Sb -","- Ba4 Cl4 O8 Sb4 -","4","0.25","","Thuillier-Chevin, F.; Maraine, P.; Perez, G.","Structure cristalline du chlorodioxoantimoniate de baryum Ba Sb O2 Cl","Revue de Chimie Minerale","1980","17","","102","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530954","4.06","","4.06","","9.45","","90","","90","","120","","134.901","","","","","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","K (Sn2 F5)","","- F5 K Sn2 -","- F4.998 K Sn2 -","- F4.998 K Sn2 -","1","0.166667","","Vilminot, S.; Perez, G.; Granier, W.; Cot, L.","Sur le compose Tl Sn2 F5, conducteur ionique par F-","Revue de Chimie Minerale","1980","17","","3976","4036","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531034","10.82123","0.00016","22.8438","0.0003","8.59627","0.00014","90","","108.437","0.0016","90","","2015.91","0.05","290.23","0.1","290.23","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O5 -","- C23 H22 N2 O5 -","- C92 H88 N8 O20 -","4","1","","Zhan, Gu; Shi, Ming-Lin; He, Qing; Du, Wei; Chen, Ying-Chun","[4 + 3] Cycloadditions with Bromo-Substituted Morita-Baylis-Hillman Adducts of Isatins and N-(ortho-Chloromethyl)aryl Amides.","Organic letters","2015","17","19","4750","4753","10.1021/acs.orglett.5b02279","","x-ray","1.54184","CuKα","","0.0445","0.0422","","","0.1096","0.1122","","","","","","1.06","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531035","16.017","0.003","18.231","0.003","18.359","0.003","115.519","0.003","101.669","0.003","92.884","0.003","4680.3","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H37 Cu F35 N14 -","- C93 H37 Cu F35 N14 -","- C186 H74 Cu2 F70 N28 -","2","1","","Zhang, Kai; Zhang, Junda; Li, Xin; Guo, Rui; Ågren, Hans; Ou, Zhongping; Ishida, Masatoshi; Furuta, Hiroyuki; Xie, Yongshu","Synthesis of a Neo-Confused Octaphyrin and the Formation of Its Mononuclear Complexes.","Organic letters","2015","17","19","4806","4809","10.1021/acs.orglett.5b02363","","","0.71073","MoKα","","0.0996","0.0693","","","0.205","0.2318","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531036","16.045","0.003","18.292","0.004","18.495","0.004","115.633","0.004","101.728","0.004","93.013","0.004","4730.7","1.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H31 F35 N12 Zn -","- C89 H31 F35 N12 Zn -","- C178 H62 F70 N24 Zn2 -","2","1","","Zhang, Kai; Zhang, Junda; Li, Xin; Guo, Rui; Ågren, Hans; Ou, Zhongping; Ishida, Masatoshi; Furuta, Hiroyuki; Xie, Yongshu","Synthesis of a Neo-Confused Octaphyrin and the Formation of Its Mononuclear Complexes.","Organic letters","2015","17","19","4806","4809","10.1021/acs.orglett.5b02363","","","0.71073","MoKα","","0.1569","0.1107","","","0.2933","0.3206","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531085","5.5644","","5.5742","","7.8665","","90","","90.028","","90","","243.996","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La (Mg0.5 Ti0.5) O3","","- La Mg0.5 O3 Ti0.5 -","- La Mg0.5 O3 Ti0.5 -","- La4 Mg2 O12 Ti2 -","4","1","","Avdeev, M.; Seabra, M.P.; Ferreira, V.M.","Crystal structure of dielectric ceramics in the (La (Mg0.5 Ti0.5) O3) - (Ba Ti O3) system","Journal of Materials Research","2002","17","","1112","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531086","5.58172","","5.5721","","7.8785","","90","","90","","90","","245.036","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(La0.9 Ba0.1) (Mg0.45 Ti0.55) O3","","- Ba0.1 La0.9 Mg0.45 O3 Ti0.55 -","- Ba0.1 La0.9 Mg0.45 O3 Ti0.55 -","- Ba0.4 La3.6 Mg1.8 O12 Ti2.2 -","4","1","","Avdeev, M.; Ferreira, V.M.; Seabra, M.P.","Crystal structure of dielectric ceramics in the (La (Mg0.5 Ti0.5) O3) - (Ba Ti O3) system","Journal of Materials Research","2002","17","","1112","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531087","5.61037","","5.58684","","7.89838","","90","","90","","90","","247.569","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(La0.7 Ba0.3) (Mg0.35 Ti0.65) O3","","- Ba0.3 La0.7 Mg0.35 O3 Ti0.65 -","- Ba0.3 La0.7 Mg0.35 O3 Ti0.65 -","- Ba1.2 La2.8 Mg1.4 O12 Ti2.6 -","4","0.5","","Avdeev, M.; Ferreira, V.M.; Seabra, M.P.","Crystal structure of dielectric ceramics in the (La (Mg0.5 Ti0.5) O3) - (Ba Ti O3) system","Journal of Materials Research","2002","17","","1112","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531088","5.6114","","5.6114","","7.9313","","90","","90","","90","","249.739","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","(La0.5 Ba0.5) (Mg0.25 Ti0.75) O3","","- Ba0.5 La0.5 Mg0.25 O3 Ti0.75 -","- Ba0.5 La0.5 Mg0.25 O3 Ti0.75 -","- Ba2 La2 Mg O12 Ti3 -","4","0.125","","Avdeev, M.; Ferreira, V.M.; Seabra, M.P.","Crystal structure of dielectric ceramics in the (La (Mg0.5 Ti0.5) O3) - (Ba Ti O3) system","Journal of Materials Research","2002","17","","1112","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","156412","2020-10-21","18:00:00",""
"1531089","3.98142","","3.98142","","3.98142","","90","","90","","90","","63.112","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(La0.3 Ba0.7) (Mg0.15 Ti0.85) O3","","- Ba0.7 La0.3 Mg0.15 O3 Ti0.85 -","- Ba0.7 La0.3 Mg0.15 O3 Ti0.85 -","- Ba0.7 La0.3 Mg0.15 O3 Ti0.85 -","1","0.0208333","","Avdeev, M.; Seabra, M.P.; Ferreira, V.M.","Crystal structure of dielectric ceramics in the (La (Mg0.5 Ti0.5) O3) - (Ba Ti O3) system","Journal of Materials Research","2002","17","","1112","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","156413","2020-10-21","18:00:00",""
"1531090","3.99574","","3.99574","","3.99574","","90","","90","","90","","63.796","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(La0.1 Ba0.9) (Mg0.05 Ti0.95) O3","","- Ba0.9 La0.1 Mg0.05 O3 Ti0.95 -","- Ba0.9 La0.1 Mg0.05 O3 Ti0.95 -","- Ba0.9 La0.1 Mg0.05 O3 Ti0.95 -","1","0.0208333","","Avdeev, M.; Seabra, M.P.; Ferreira, V.M.","Crystal structure of dielectric ceramics in the (La (Mg0.5 Ti0.5) O3) - (Ba Ti O3) system","Journal of Materials Research","2002","17","","1112","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","156414","2020-10-21","18:00:00",""
"1531166","9.2332","0.0003","11.8033","0.0005","13.4383","0.0006","78.564","0.004","74.091","0.004","80.538","0.003","1371.04","0.1","289.2","0.4","289.2","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O4 S2 -","- C28 H26 N2 O4 S2 -","- C56 H52 N4 O8 S4 -","2","1","","Hou, Wenduan; Wei, Qi; Liu, Guisheng; Chen, Jing; Guo, Jing; Peng, Yungui","Asymmetric Multicomponent Sulfa-Michael/Mannich Cascade Reaction: Synthetic Access to 1,2-Diamino-3-Organosulfur Compounds and 2-Nitro Allylic Amines.","Organic letters","2015","17","19","4870","4873","10.1021/acs.orglett.5b02423","","x-ray","1.54184","CuKα","","0.0481","0.0427","","","0.1227","0.1283","","","","","","1.038","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531170","7.8395","0.00006","12.02537","0.00011","26.9644","0.0002","90","","90","","90","","2542.01","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O4 S2 -","- C28 H26 N2 O4 S2 -","- C112 H104 N8 O16 S8 -","4","1","","Hou, Wenduan; Wei, Qi; Liu, Guisheng; Chen, Jing; Guo, Jing; Peng, Yungui","Asymmetric Multicomponent Sulfa-Michael/Mannich Cascade Reaction: Synthetic Access to 1,2-Diamino-3-Organosulfur Compounds and 2-Nitro Allylic Amines.","Organic letters","2015","17","19","4870","4873","10.1021/acs.orglett.5b02423","","","1.54184","CuKα","","0.0259","0.0255","","","0.0683","0.0689","","","","","","0.925","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531174","5.35547","0.00005","17.35361","0.00013","27.184","0.0002","90","","90","","90","","2526.39","0.04","284.46","0.1","284.46","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O4 S2 -","- C28 H26 N2 O4 S2 -","- C112 H104 N8 O16 S8 -","4","1","","Hou, Wenduan; Wei, Qi; Liu, Guisheng; Chen, Jing; Guo, Jing; Peng, Yungui","Asymmetric Multicomponent Sulfa-Michael/Mannich Cascade Reaction: Synthetic Access to 1,2-Diamino-3-Organosulfur Compounds and 2-Nitro Allylic Amines.","Organic letters","2015","17","19","4870","4873","10.1021/acs.orglett.5b02423","","x-ray","1.54184","CuKα","","0.0265","0.0263","","","0.0696","0.0698","","","","","","1.035","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531361","14.248","","14.248","","30.02199","","90","","90","","120","","5278.1","","","","","","","","","","","","","8","R 3 m :H","R 3 -2""","160","","Na12 Ca6 Fe3 Zr3 (Si24 O66) (O H)5 Cl","","- Ca6 Cl Fe3 H5 Na12 O71 Si24 Zr3 -","- Ca6 Cl Fe3 Na12 O71 Si24.0001 Zr3 -","- Ca18 Cl3 Fe9 Na36 O213 Si72.0003 Zr9 -","3","0.166667","","Golyshev, V.M.; Simonov, V.I.; Belov, N.V.","Crystal structure of eudialyte","Kristallografiya","1972","17","","1119","1123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531362","9.3656","","12.2731","","7.4816","","90","","98.649","","90","","850.193","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Mn2 (Fe (C N)6) (H2 O)8","","- C6 H16 Fe Mn2 N6 O8 -","- C6 Fe Mn2 N6 O8 -","- C12 Fe2 Mn4 N12 O16 -","2","0.5","","Gomez, A.; Lara, V.H.; Bosch, P.; Reguera, E.","The structure of two manganese hexacyanometallates(II): Mn2 (Fe (C N)6) * 8(H2 O) and Mn2 (Os (C N)6) *8(H2 O)","Powder Diffraction","2002","17","","144","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531363","9.4922","","12.493","","7.6013","","90","","98.695","","90","","891.048","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Mn2 (Os (C N)6) (H2 O)8","","- C6 H16 Mn2 N6 O8 Os -","- C6 Mn2 N6 O8 Os -","- C12 Mn4 N12 O16 Os2 -","2","0.5","","Gomez, A.; Lara, V.H.; Bosch, P.; Reguera, E.","The structure of two manganese hexacyanometallates(II): Mn2 (Fe (C N)6) * 8(H2 O) and Mn2 (Os (C N)6) *8(H2 O)","Powder Diffraction","2002","17","","144","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531574","12.8","","12.8","","8.3","","90","","90","","120","","1177.68","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","K3 (Tc2 Cl8) (H2 O)2","","- Cl8 K3 Tc2 -","- Cl8 K3 Tc2 -","- Cl24 K9 Tc6 -","3","0.5","","Koz'min, P.A.; Novitskaya, G.N.","X-ray diffraction study of K3 (Tc2 Cl8) (H2 O)2 and Cs3 (Tc2 Cl8) (H2 O)2","Zhurnal Neorganicheskoi Khimii","1972","17","","3138","3139","","","","","","","","","","","","","","","","","","","","","","has coordinates","157070","2020-10-21","18:00:00",""
"1531651","5.47","","7.65","","26.1","","90","","90","","90","","1092.17","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","Ta7.3 O11.32","","- O11.32 Ta7.3 -","- O11.32 Ta7.3 -","- O11.32 Ta7.3 -","1","0.125","","Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G.","Electron-diffraction study of the atomic structure of orthorhombic tantalum oxide in thin films","Kristallografiya","1972","17","","506","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","157173","2020-10-21","18:00:00",""
"1531704","7.18","","7.18","","14.9","","92","","88","","82","","759.578","","","","","","","","","","","","","4","P -1","-P 1","2","","Na In (Mo O4)2","","- In Mo2 Na O8 -","- In Mo2 Na O8 -","- In4 Mo8 Na4 O32 -","4","2","","Klevtsova, R.F.; Klevtsov, P.V.","Preparation of Crystals, Thermal Stability, and Structure of Sodium Indium Molybdate Na In (Mo O4)2","Kristallografiya","1972","17","","955","959","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531784","13.1186","","7.67131","","12.165","","90","","101.256","","90","","1200.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bi2 Zn0.667 Nb1.333 O7","","- Bi2 Nb1.333 O7 Zn0.667 -","- Bi2 Nb1.3335 O7 Zn0.6665 -","- Bi16 Nb10.668 O56 Zn5.332 -","8","1","","Levin, I.; Lanagan, M.T.; Nino, J.C.; Vanderah, T.A.; Amos, T.G.; Reaney, I.M.; Randall, C.A.","Crystal structure of the compound Bi2 Zn2/3 Nb4/3 O7","Journal of Materials Research","2002","17","","1406","1411","","","","","","","","","","","","","","","","","","","","","","has coordinates","157343","2020-10-21","18:00:00",""
"1531865","10.02794","","10.02794","","10.02794","","90","","90","","90","","1008.41","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Na Ba In2 (P O4)3","","- Ba In2 Na O12 P3 -","- Ba1.017 In2 Na0.983 O12 P3 -","- Ba4.068 In8 Na3.932 O48 P12 -","4","0.333333","","Louer, D.; Moise, V.; Liegeois-Duyckaerts, M.; Rulmont, A.","A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure","Powder Diffraction","2002","17","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531868","10.12268","","10.12268","","10.12268","","90","","90","","90","","1037.26","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","K Ba In2 (P O4)3","","- Ba In2 K O12 P3 -","- Ba1.068 In2 K0.93 O12 P3 -","- Ba4.272 In8 K3.72 O48 P12 -","4","0.333333","","Louer, D.; Moise, V.; Liegeois-Duyckaerts, M.; Rulmont, A.","A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure","Powder Diffraction","2002","17","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531871","10.22854","","10.22854","","10.22854","","90","","90","","90","","1070.14","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Cs Ba In2 (P O4)3","","- Ba Cs In2 O12 P3 -","- Ba Cs In2 O12 P3 -","- Ba4 Cs4 In8 O48 P12 -","4","0.333333","","Louer, D.; Moise, V.; Rulmont, A.; Liegeois-Duyckaerts, M.","A powder diffraction study of M(I) Ba In2 (P O4)3 (M(I) = Na, K, Cs) with a langbeinite-type structure","Powder Diffraction","2002","17","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531974","10.7636","","10.7636","","10.7636","","90","","90","","90","","1247.02","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cs2 Na Tb Cl6","","- Cl6 Cs2 Na Tb -","- Cl6 Cs2 Na Tb -","- Cl24 Cs8 Na4 Tb4 -","4","0.0208333","","Poblete, V.; Martin, V.; Navarro, G.; Alvarez, M.","Synthesis and characterization of luminescent materials. The elpasolite Cs2 Na Tb Cl6","Powder Diffraction","2002","17","","10","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532004","5.37","","15.65","","10.72","","90","","95","","90","","897.486","","","","","","","","","","","","","5","C 1","C 1","1","","((Mg0.71 Fe0.29) (O H)2)5 (Fe0.88 S)6","","- Fe6.73 H10 Mg3.55 O10 S6 -","- Fe6.73 Mg3.55 O10 S6 -","- Fe13.46 Mg7.1 O20 S12 -","2","","","Organova, N.I.; Drits, V.A.; Dmitrik, A.L.","Structural study of tochilinite. Part I. The isometric variety","Kristallografiya","1972","17","","761","767","","","","","","","","","","","","","","","","","","","","","","has coordinates","209123","2020-10-21","18:00:00",""
"1532010","5.5032","","5.5032","","13.3675","","90","","90","","120","","350.6","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.64 Sr0.36) (Mn O3)","","- La0.64 Mn O3 Sr0.36 -","- La0.639 Mn O3 Sr0.361 -","- La3.834 Mn6 O18 Sr2.166 -","6","0.166667","","Paiva-Santos, C.O.; Jafelicci, M.jr.; Marques, R.F.C.; Varanda, L.C.","X-ray powder data and bond valence of La0.65 Sr0.35 Mn O3 after Rietveld refinement","Powder Diffraction","2002","17","","149","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532213","22.3479","","7.6955","","12.2021","","90","","90","","90","","2098.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba4.5 Nd9 Ti18 O54","","- Ba4.5 Nd9 O54 Ti18 -","- Ba4.496 Nd8.998 O54 Ti18 -","- Ba8.992 Nd17.996 O108 Ti36 -","2","0.25","","Tang, C.C.; Freer, R.; Roberts, M.A.; Azough, F.; Leach, C.","Synchrotron X-ray diffraction study of Ba4.5 Nd9 Ti18 O54 microwave dielectric ceramics at 10 - 295 K","Journal of Materials Research","2002","17","","675","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","157876","2020-10-21","18:00:00",""
"1532335","10.5501","","3.692","","12.5663","","90","","90","","90","","489.47","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr La4 O8","","- Ba La4 O8 Sr -","- Ba La4 O8 Sr -","- Ba2 La8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532337","10.4012","","3.58727","","12.3393","","90","","90","","90","","460.403","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Nd4 O8","","- Ba Nd4 O8 Sr -","- Ba Nd4 O8 Sr -","- Ba2 Nd8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532340","10.349","","3.54266","","12.2391","","90","","90","","90","","448.722","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Sm4 O8","","- Ba O8 Sm4 Sr -","- Ba O8 Sm4 Sr -","- Ba2 O16 Sm8 Sr2 -","2","0.25","","Wong-Ng, W.; Dillingham, J.; Kaduk, J.A.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532342","10.3306","","3.51847","","12.1936","","90","","90","","90","","443.212","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Eu4 O8","","- Ba Eu4 O8 Sr -","- Ba Eu4 O8 Sr -","- Ba2 Eu8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532345","10.32655","","3.49713","","12.1722","","90","","90","","90","","439.578","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Gd4 O8","","- Ba Gd4 O8 Sr -","- Ba Gd4 O8 Sr -","- Ba2 Gd8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532348","10.26111","","3.45219","","12.049","","90","","90","","90","","426.815","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Dy4 O8","","- Ba Dy4 O8 Sr -","- Ba Dy4 O8 Sr -","- Ba2 Dy8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Dillingham, J.; Kaduk, J.A.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532351","10.23438","","3.43224","","12.01585","","90","","90","","90","","422.079","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Ho4 O8","","- Ba Ho4 O8 Sr -","- Ba Ho4 O8 Sr -","- Ba2 Ho8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532371","3.9147","","3.8672","","11.7033","","90","","90","","90","","177.175","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","(La0.7 Pr0.3) Ba2 Cu3 O6.97","","- Ba2 Cu3 La0.7 O6.97 Pr0.3 -","- Ba2 Cu3 La0.7 O6.97 Pr0.3 -","- Ba2 Cu3 La0.7 O6.97 Pr0.3 -","1","0.125","","Wu, X.S.; Wang, J.; Sha, H.; Yu, T.; Tan, W.S.; Hu, A.; Jiang, S.S.; Ding Yongfan","The crystal structure of La0.7 Pr0.3 Ba2 Cu3 Od ceramic compound","Powder Diffraction","2002","17","","25","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","158077","2020-10-21","18:00:00",""
"1532425","4.23","","7.14","","13.01","","90","","97.667","","90","","389.418","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H4) (S C N)","","- C H4 N2 S -","- C H4 N2 S -","- C4 H16 N8 S4 -","4","1","","Zavodnik, V.E.; Zvonkova, Z.V.; Zhdanov, G.S.; Mirevich, E.G.","X-Ray diffractometric refinement of the atomic structure of ammonium thiocyanate","Kristallografiya","1972","17","","107","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532457","9.799","0.004","11.932","0.007","13.735","0.007","84.22","0.03","72.85","0.03","66.98","0.02","1412.1","1.3","110","","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H40 S3 -","- C32 H40 S3 -","- C64 H80 S6 -","2","1","","Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis and Properties of Ethene-Bridged Terthiophenes.","Organic letters","2015","17","19","4858","4861","10.1021/acs.orglett.5b02417","","","0.71075","MoKα","","0.0666","0.0545","","","0.1303","0.1388","","","","","","1.011","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1532458","10.274","0.013","10.828","0.013","13.62","0.015","73.61","0.04","83.52","0.06","85.57","0.05","1443","3","110","","110","2","","","","","","","","3","P -1","-P 1","2","EBTT-C8-2","","","- C32 H40 S3 -","- C32 H40 S3 -","- C64 H80 S6 -","2","1","","Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis and Properties of Ethene-Bridged Terthiophenes.","Organic letters","2015","17","19","4858","4861","10.1021/acs.orglett.5b02417","","","0.71075","MoKα","","0.09","0.0654","","","0.1536","0.1683","","","","","","1.048","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532459","7.769","0.003","12.591","0.004","12.753","0.004","93.524","0.003","98.169","0.006","101.228","0.006","1206.1","0.7","110","2","110","2","","","","","","","","3","P -1","-P 1","2","EBTT-C6","","","- C28 H32 S3 -","- C28 H32 S3 -","- C56 H64 S6 -","2","1","","Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis and Properties of Ethene-Bridged Terthiophenes.","Organic letters","2015","17","19","4858","4861","10.1021/acs.orglett.5b02417","","","0.71075","MoKα","","0.0324","0.0283","","","0.0823","0.0837","","","","","","1.073","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532460","11.959","0.011","22.114","0.019","7.632","0.006","90","","97.436","0.014","90","","2001","3","100.15","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 S3 -","- C24 H24 S3 -","- C96 H96 S12 -","4","1","","Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis and Properties of Ethene-Bridged Terthiophenes.","Organic letters","2015","17","19","4858","4861","10.1021/acs.orglett.5b02417","","","0.71075","MoKα","","0.0687","0.0595","","","0.1166","0.122","","","","","","1.162","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532461","13.033","0.007","3.916","0.002","24.464","0.013","90","","103.214","0.008","90","","1215.5","1.1","113","","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","EBTT","","","- C16 H8 S3 -","- C16 H8 S3 -","- C64 H32 S12 -","4","1","","Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis and Properties of Ethene-Bridged Terthiophenes.","Organic letters","2015","17","19","4858","4861","10.1021/acs.orglett.5b02417","","","0.71075","MoKα","","0.0422","0.0347","","","0.0738","0.0779","","","","","","1.063","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532568","11.1787","","11.1787","","20.5789","","90","","90","","120","","2227.08","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ba4 (Eu3 F17)","","- Ba4 Eu3 F17 -","- Ba4 Eu3 F17.001 -","- Ba24 Eu18 F102.006 -","6","0.333333","","Achary, S.N.; Patwe, S.J.; Tyagi, A.K.","Powder XRD study of Ba4 Eu3 F17","Powder Diffraction","2002","17","","225","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","158500","2020-10-21","18:00:00",""
"1532768","10.2434","","3.43107","","12.0221","","90","","90","","90","","422.527","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Y4 O8","","- Ba O8 Sr Y4 -","- Ba O8 Sr Y4 -","- Ba2 O16 Sr2 Y8 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532770","10.21534","","3.41465","","11.97533","","90","","90","","90","","417.721","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Er4 O8","","- Ba Er4 O8 Sr -","- Ba Er4 O8 Sr -","- Ba2 Er8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532772","10.17143","","3.40117","","11.92002","","90","","90","","90","","412.37","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Tm4 O8","","- Ba O8 Sr Tm4 -","- Ba O8 Sr Tm4 -","- Ba2 O16 Sr2 Tm8 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532776","10.15475","","3.38199","","11.87965","","90","","90","","90","","407.986","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Yb4 O8","","- Ba O8 Sr Yb4 -","- Ba O8 Sr Yb4 -","- Ba2 O16 Sr2 Yb8 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532780","10.12504","","3.36249","","11.84691","","90","","90","","90","","403.332","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sr Lu4 O8","","- Ba Lu4 O8 Sr -","- Ba Lu4 O8 Sr -","- Ba2 Lu8 O16 Sr2 -","2","0.25","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystal structures and reference diffraction patterns of Ba Sr R4 O9","Powder Diffraction","2002","17","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532846","6.3906","","7.2568","","7.3673","","90","","90.234","","90","","341.658","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Li0.5 Ni0.25 (Ti O) (P O4)","","- Li0.5 Ni0.25 O5 P Ti -","- Li0.5 Ni0.25 O5 P Ti -","- Li2 Ni O20 P4 Ti4 -","4","1","","Manoun, B.; El Jazouli, A.; Gravereau, P.; Bouree, F.; Chaminade, J.P.","Determination and Rietveld refinement of the crystal structure of Li0.5 Ni0.25 Ti O (P O4) from powder X-ray and neutron diffraction","Powder Diffraction","2002","17","","290","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532913","5.496","","5.496","","13.5063","","90","","90","","120","","353.314","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Na0.8 K0.2)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi3 K0.6 Na2.4 O18 Ti6 -","6","0.333333","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532915","5.5154","","5.5154","","3.8999","","90","","90","","90","","118.634","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","(Na0.8 K0.2)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi0.5 K0.1 Na0.4 O3 Ti -","- Bi K0.2 Na0.8 O6 Ti2 -","2","0.25","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532916","5.5047","","5.5047","","13.5341","","90","","90","","120","","355.163","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Na0.6 K0.4)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.2 Na0.3 O3 Ti -","- Bi0.5 K0.2 Na0.3 O3 Ti -","- Bi3 K1.2 Na1.8 O18 Ti6 -","6","0.333333","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532918","3.9032","","3.9032","","3.9112","","90","","90","","90","","59.587","","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","(Na0.6 K0.4)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.2 Na0.3 O3 Ti -","- Bi0.5 K0.2 Na0.3 O3 Ti -","- Bi0.5 K0.2 Na0.3 O3 Ti -","1","0.125","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532919","5.5207","","5.5207","","13.567","","90","","90","","120","","358.099","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Na0.5 K0.5)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.25 Na0.25 O3 Ti -","- Bi0.5 K0.25 Na0.25 O3 Ti -","- Bi3 K1.5 Na1.5 O18 Ti6 -","6","0.333333","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532920","3.9136","","3.9136","","3.9289","","90","","90","","90","","60.176","","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","(Na0.5 K0.5)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.25 Na0.25 O3 Ti -","- Bi0.5 K0.25 Na0.25 O3 Ti -","- Bi0.5 K0.25 Na0.25 O3 Ti -","1","0.125","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532922","3.9312","","3.9312","","3.9312","","90","","90","","90","","60.754","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(Na0.4 K0.6)0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.3 Na0.2 O3 Ti -","- Bi0.5 K0.3 Na0.2 O3 Ti -","- Bi0.5 K0.3 Na0.2 O3 Ti -","1","0.0208333","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532924","3.9388","","3.9388","","3.9613","","90","","90","","90","","61.456","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","K0.5 Bi0.5 (Ti O3)","","- Bi0.5 K0.5 O3 Ti -","- Bi0.5 K0.5 O3 Ti -","- Bi0.5 K0.5 O3 Ti -","1","0.125","","Jones, G.O.; Kreisel, J.; Thomas, P.A.","A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature","Powder Diffraction","2002","17","","301","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533115","5.89199","","5.89199","","8.31677","","90","","90","","90","","288.721","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Mg (Cr2 O4)","","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr8 Mg4 O16 -","4","0.125","","Ehrenberg, H.; Knapp, M.; Baehtz, C.; Klemme, S.","Tetragonal low-temperature phase of Mg Cr2 O4","Powder Diffraction","2002","17","","230","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533309","5.3942","","5.3942","","5.3942","","90","","90","","90","","156.957","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Ce0.68 Y0.32) O1.81","","- Ce0.68 O1.81 Y0.32 -","- Ce0.68 O1.81 Y0.32 -","- Ce2.72 O7.24 Y1.28 -","4","0.0208333","","Chakraborty, K.R.; Chavan, S.V.; Tyagi, A.K.","A neutron diffraction study on a typical highly defective ceria - yttria solid solution","Powder Diffraction","2002","17","","278","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","159450","2020-10-21","18:00:00",""
"1533489","11.2818","","11.2818","","20.7788","","90","","90","","120","","2290.38","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Ba4 (Nd3 F17)","","- Ba4 F17 Nd3 -","- Ba4 F17.001 Nd3 -","- Ba24 F102.006 Nd18 -","6","0.333333","","Grover, V.; Patwe, S.J.; Achary, S.N.; Tyagi, A.K.","Synthesis and structural elucidation of Ba4 Nd3 F17: a powder XRD study","Powder Diffraction","2002","17","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","159734","2020-10-21","18:00:00",""
"1534085","14.083","","23.241","","32.197","","90","","98.995","","90","","10408.6","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Na9 (Na3 (Co (H2 O))3 (As W9 O33)2) (H2 O)44","","- As2 Co3 H94 Na12 O113 W18 -","- As2 Co3 Na12 O110 W18 -","- As8 Co12 Na48 O440 W72 -","4","0.5","","Xue Ganglin; Liu Bin; WangWenliang; Wang Hulin; Li Hengxin","Synthesis and crystal structure of heteropolytungstate Na9 (Na3 (Co (H2 O))3 (As W9 O33)2) * 44(H2 O)","Xian Shiyou Xueyuan Xuebao, Ziran Kexue","2002","17","","66","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534096","5.1904","0.0007","9.7263","0.0012","29.581","0.003","90","","90","","90","","1493.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Pathipati, Stalin R.; Singh, Vipender; Eriksson, Lars; Selander, Nicklas","Lewis Acid Catalyzed Annulation of Nitrones with Oxiranes, Aziridines, and Thiiranes.","Organic letters","2015","17","18","4506","4509","10.1021/acs.orglett.5b02195","","","0.71073","MoKα","","0.0579","0.0421","","","0.0765","0.0822","","","","","","1.099","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534097","11.7836","0.0012","8.1908","0.0007","21.1196","0.0019","90","","92.216","0.004","90","","2036.9","0.3","99.9","","99.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O4 -","- C27 H21 N O4 -","- C108 H84 N4 O16 -","4","1","","Jung, Youngeun; Kim, Ikyon","Deformylative Intramolecular Hydroarylation: Synthesis of Benzo[e]pyrido[1,2-a]indoles.","Organic letters","2015","17","18","4600","4603","10.1021/acs.orglett.5b02331","","","0.71073","MoKα","","0.0479","0.0366","","","0.0843","0.0961","","","","","","1.072","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534098","11.5406","0.0012","9.3427","0.001","18.9135","0.0016","90","","96.804","0.003","90","","2024.9","0.3","303.7","","303.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C104 H84 N4 O12 -","4","1","","Jung, Youngeun; Kim, Ikyon","Deformylative Intramolecular Hydroarylation: Synthesis of Benzo[e]pyrido[1,2-a]indoles.","Organic letters","2015","17","18","4600","4603","10.1021/acs.orglett.5b02331","","","0.71073","MoKα","","0.1088","0.0511","","","0.1001","0.1187","","","","","","1.032","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1534099","13.9954","0.0019","19.389","0.003","14.02","0.002","90","","115.309","0.002","90","","3439.3","0.9","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H60 Cl N4 O4 P -","- C62 H60 Cl N4 O4 P -","- C124 H120 Cl2 N8 O8 P2 -","2","1","","Gao, Xing; Han, Jianwei; Wang, Limin","Design of Highly Stable Iminophosphoranes as Recyclable Organocatalysts: Application to Asymmetric Chlorinations of Oxindoles.","Organic letters","2015","17","18","4596","4599","10.1021/acs.orglett.5b02323","","","0.71073","MoKα","","0.1028","0.0861","","","0.2341","0.2495","","","","","","1.029","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534100","12.0658","0.001","17.7295","0.0013","13.2309","0.001","90","","104.155","0.002","90","","2744.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C65 H65 N4 O5 P -","- C65 H65 N4 O5 P -","- C130 H130 N8 O10 P2 -","2","1","","Gao, Xing; Han, Jianwei; Wang, Limin","Design of Highly Stable Iminophosphoranes as Recyclable Organocatalysts: Application to Asymmetric Chlorinations of Oxindoles.","Organic letters","2015","17","18","4596","4599","10.1021/acs.orglett.5b02323","","","0.71073","MoKα","","0.1192","0.06","","","0.1167","0.1386","","","","","","0.94","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534101","31.82","0.005","31.82","0.005","6.203","0.0012","90","","90","","120","","5439.2","1.6","294","2","294","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C24 H29 F N2 O5 -","- C24 H29 F N2 O5 -","- C216 H261 F9 N18 O45 -","9","1","","Bonetti, Andrea; Pellegrino, Sara; Das, Priyadip; Yuran, Sivan; Bucci, Raffaella; Ferri, Nicola; Meneghetti, Fiorella; Castellano, Carlo; Reches, Meital; Gelmi, Maria Luisa","Dipeptide Nanotubes Containing Unnatural Fluorine-Substituted β(2,3)-Diarylamino Acid and l-Alanine as Candidates for Biomedical Applications.","Organic letters","2015","17","18","4468","4471","10.1021/acs.orglett.5b02132","","","0.71073","MoKα","","0.0712","0.0497","","","0.127","0.1434","","","","","","1.053","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534102","9.507","0.002","9.4923","0.0013","14.387","0.002","90","","90.344","0.013","90","","1298.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 -","- C15 H17 N3 -","- C60 H68 N12 -","4","1","","Hassan, Haitham; Mohammed, Shireen; Robert, Frédéric; Landais, Yannick","Total Synthesis of (±)-Eucophylline. A Free-Radical Approach to the Synthesis of the Azabicyclo[3.3.1]nonane Skeleton.","Organic letters","2015","17","18","4518","4521","10.1021/acs.orglett.5b02218","","","1.54187","CuKα","","0.0441","0.0379","","","0.0994","0.1067","","","","","","1.016","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534103","7.4677","0.0011","18.793","0.003","24.102","0.004","90","","94.988","0.006","90","","3369.7","0.9","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N -","- C24 H21 N -","- C192 H168 N8 -","8","2","","Hassan, Haitham; Mohammed, Shireen; Robert, Frédéric; Landais, Yannick","Total Synthesis of (±)-Eucophylline. A Free-Radical Approach to the Synthesis of the Azabicyclo[3.3.1]nonane Skeleton.","Organic letters","2015","17","18","4518","4521","10.1021/acs.orglett.5b02218","","","1.54187","CuKα","","0.0734","0.0507","","","0.1377","0.1448","","","","","","1.013","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534104","25.108","0.0017","25.108","0.0017","8.6289","0.0008","90","","90","","90","","5439.8","0.7","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C13 H14 B Cl F2 N2 -","- C13 H14 B Cl F2 N2 -","- C208 H224 B16 Cl16 F32 N32 -","16","1","","Zhou, Xin; Yu, Changjiang; Feng, Zeya; Yu, Yang; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Highly Regioselective α-Chlorination of the BODIPY Chromophore with Copper(II) Chloride.","Organic letters","2015","17","18","4632","4635","10.1021/acs.orglett.5b02383","","","0.71073","MoKα","","0.0707","0.0579","","","0.1733","0.1872","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534105","15.6318","0.0017","13.1816","0.0014","15.4701","0.0017","90","","96.971","0.001","90","","3164.1","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 B Cl2 F2 N2 O -","- C16 H11 B Cl2 F2 N2 O -","- C128 H88 B8 Cl16 F16 N16 O8 -","8","1","","Zhou, Xin; Yu, Changjiang; Feng, Zeya; Yu, Yang; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Highly Regioselective α-Chlorination of the BODIPY Chromophore with Copper(II) Chloride.","Organic letters","2015","17","18","4632","4635","10.1021/acs.orglett.5b02383","","","0.71073","MoKα","","0.0433","0.0374","","","0.1032","0.1086","","","","","","1.039","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534106","10.1284","0.0011","11.8356","0.0013","12.656","0.0013","91.216","0.001","110.273","0.001","107.739","0.001","1341.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 B Cl2 F2 N2 -","- C12 H11 B Cl2 F2 N2 -","- C48 H44 B4 Cl8 F8 N8 -","4","2","","Zhou, Xin; Yu, Changjiang; Feng, Zeya; Yu, Yang; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Highly Regioselective α-Chlorination of the BODIPY Chromophore with Copper(II) Chloride.","Organic letters","2015","17","18","4632","4635","10.1021/acs.orglett.5b02383","","","0.71073","MoKα","","0.0427","0.0358","","","0.0953","0.102","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534107","7.4471","0.0009","9.4405","0.0011","12.781","0.0016","79.059","0.003","79.842","0.003","75.136","0.003","844.95","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 F3 O2 S -","- C20 H13 F3 O2 S -","- C40 H26 F6 O4 S2 -","2","1","","Xu, Chunfa; Shen, Qilong","Lewis Acid Mediated Trifluoromethylthio Lactonization/Lactamization.","Organic letters","2015","17","18","4561","4563","10.1021/acs.orglett.5b02315","","","0.71073","MoKα","","0.0926","0.067","","","0.146","0.1591","","","","","","1.051","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1534108","8.2556","0.0017","14.406","0.003","17.938","0.004","90","","93.63","0.03","90","","2129.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","141208b","","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C96 H84 N4 O16 S4 -","4","1","","Liu, Hongxu; Yang, Yanyan; Wang, Shen; Wu, Jie; Wang, Xiao-Na; Chang, Junbiao","Synthesis of 3-Substituted 2-Aminochromones via Sn(IV)-Promoted Annulation of Ynamides with 2-Methoxyaroyl Chlorides.","Organic letters","2015","17","18","4472","4475","10.1021/acs.orglett.5b02137","","","0.71073","MoKα","","0.1084","0.0941","","","0.2494","0.2603","","","","","","1.5","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534109","5.9946","0.0002","7.961","0.0002","12.7201","0.0004","85.167","0.002","84.614","0.002","73.532","0.002","578.51","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O S -","- C14 H11 N O S -","- C28 H22 N2 O2 S2 -","2","1","","Lemercier, Bérénice C; Pierce, Joshua G.","Synthesis of 1,4,2-Oxathiazoles via Oxidative Cyclization of Thiohydroximic Acids.","Organic letters","2015","17","18","4542","4545","10.1021/acs.orglett.5b02256","","","0.71073","MoKα","","0.0564","0.0433","","","0.1057","0.114","","","","","","1.067","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1534110","10.469","0.003","11.122","0.003","11.473","0.004","90","","92.129","0.015","90","","1335","0.7","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl2 I N3 O4 S -","- C25 H22 Cl2 I N3 O4 S -","- C50 H44 Cl4 I2 N6 O8 S2 -","2","1","","Tripathi, Chandra Bhushan; Mukherjee, Santanu","Catalytic Enantioselective 1,4-Iodofunctionalizations of Conjugated Dienes.","Organic letters","2015","17","18","4424","4427","10.1021/acs.orglett.5b02026","","x-ray","0.71073","MoKα","","0.072","0.0503","","","0.1055","0.1149","","","","","","0.999","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534111","9.9179","0.0015","5.7432","0.0007","14.186","0.002","90","","95.817","0.009","90","","803.88","0.19","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","CBT-V-255-01","","- C18 H16 I N O -","- C18 H16 I N O -","- C36 H32 I2 N2 O2 -","2","1","","Tripathi, Chandra Bhushan; Mukherjee, Santanu","Catalytic Enantioselective 1,4-Iodofunctionalizations of Conjugated Dienes.","Organic letters","2015","17","18","4424","4427","10.1021/acs.orglett.5b02026","","x-ray","0.71073","MoKα","","0.1043","0.0448","","","0.0803","0.096","","","","","","1","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1534112","11.3632","0.0014","11.802","0.0015","15.831","0.002","90","","109.817","0.002","90","","1997.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O5 S -","- C21 H21 N O5 S -","- C84 H84 N4 O20 S4 -","4","2","","Qiao, Baokun; Huang, Yin-Jun; Nie, Jing; Ma, Jun-An","Highly Regio-, Diastereo-, and Enantioselective Mannich Reaction of Allylic Ketones and Cyclic Ketimines: Access to Chiral Benzosultam.","Organic letters","2015","17","18","4608","4611","10.1021/acs.orglett.5b02351","","","0.71073","MoKα","","0.0436","0.0376","","","0.0993","0.1041","","","","","","1.03","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534113","11.7071","0.001","15.8544","0.0013","9.4636","0.0007","90","","113.637","0.01","90","","1609.2","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Shao, Jiaan; Liu, Xingyu; Shu, Ke; Tang, Pai; Luo, Jing; Chen, Wenteng; Yu, Yongping","Tuning the Annulation Reactivity of Vinyl Azides and Carbazates: A Divergent Synthesis of Aza-pyrimidinones and Imidazoles.","Organic letters","2015","17","18","4502","4505","10.1021/acs.orglett.5b02180","","","0.71073","MoKα","","0.0673","0.0462","","","0.114","0.1275","","","","","","1.023","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534114","6.9191","0.0002","16.135","0.0005","14.3518","0.0006","90","","104.515","0.003","90","","1551.09","0.09","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C56 H68 N12 O16 -","4","1","","Shao, Jiaan; Liu, Xingyu; Shu, Ke; Tang, Pai; Luo, Jing; Chen, Wenteng; Yu, Yongping","Tuning the Annulation Reactivity of Vinyl Azides and Carbazates: A Divergent Synthesis of Aza-pyrimidinones and Imidazoles.","Organic letters","2015","17","18","4502","4505","10.1021/acs.orglett.5b02180","","","1.54184","CuKα","","0.0632","0.0503","","","0.1418","0.1554","","","","","","1.049","","","","has coordinates","160466","2020-10-21","18:00:00",""
"1534115","16.9438","0.0002","7.2054","0.0001","21.3218","0.0003","90","","95.864","0.001","90","","2589.49","0.06","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 N3 O2 -","- C33 H25 N3 O2 -","- C132 H100 N12 O8 -","4","1","","Peng, Jing; Ran, Guang-Yao; Du, Wei; Chen, Ying-Chun","Divergent Cyclization Reactions of Morita-Baylis-Hillman Carbonates of 2-Cyclohexenone and Isatylidene Malononitriles.","Organic letters","2015","17","18","4490","4493","10.1021/acs.orglett.5b02157","","","1.54184","CuKα","","0.0435","0.0403","","","0.1058","0.1084","","","","","","1.039","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534116","7.3218","0.0003","32.2827","0.0012","11.6678","0.0004","90","","91.975","0.003","90","","2756.25","0.18","290","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N4 O4 -","- C27 H20 N4 O4 -","- C108 H80 N16 O16 -","4","1","","Peng, Jing; Ran, Guang-Yao; Du, Wei; Chen, Ying-Chun","Divergent Cyclization Reactions of Morita-Baylis-Hillman Carbonates of 2-Cyclohexenone and Isatylidene Malononitriles.","Organic letters","2015","17","18","4490","4493","10.1021/acs.orglett.5b02157","","","1.54184","CuKα","","0.082","0.0589","","","0.1524","0.1687","","","","","","1.072","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534117","22.1268","0.0006","5.3611","0.0001","16.7753","0.0004","90","","101.52","0.0009","90","","1949.86","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F3 N4 O2 -","- C21 H19 F3 N4 O2 -","- C84 H76 F12 N16 O8 -","4","1","","Chung, Tim S.; Lopez, Steven A.; Houk, K. N.; Garcia-Garibay, Miguel A","Stereospecific Synthesis of Substituted Aziridines by a Crystal-to-Crystal Photodenitrogenation of Δ(2)-1,2,3-Triazolines.","Organic letters","2015","17","18","4568","4571","10.1021/acs.orglett.5b02290","","","1.54178","CuKα","","0.0385","0.0376","","","0.1011","0.1023","","","","","","1.027","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534118","16.6564","0.0006","5.4719","0.0002","39.3699","0.0015","90","","90","","90","","3588.3","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H18 F3 N3 O2 -","- C20 H18 F3 N3 O2 -","- C160 H144 F24 N24 O16 -","8","2","","Chung, Tim S.; Lopez, Steven A.; Houk, K. N.; Garcia-Garibay, Miguel A","Stereospecific Synthesis of Substituted Aziridines by a Crystal-to-Crystal Photodenitrogenation of Δ(2)-1,2,3-Triazolines.","Organic letters","2015","17","18","4568","4571","10.1021/acs.orglett.5b02290","","","1.54178","CuKα","","0.0867","0.0719","","","0.1785","0.1912","","","","","","1.039","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534119","11.4428","0.0007","15.4354","0.0009","24.3994","0.0015","90","","90","","90","","4309.5","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H45 N2 O8 -","- C53 H45 N2 O8 -","- C212 H180 N8 O32 -","4","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.1268","0.056","","","0.121","0.1458","","","","","","0.986","","","","has coordinates","160471","2020-10-21","18:00:00",""
"1534120","14.958","0.002","25.526","0.004","11.093","0.002","90","","90","","90","","4235.5","1.2","296","2","296.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H52 N4 O9 -","- C48 H52 N4 O9 -","- C192 H208 N16 O36 -","4","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.2581","0.0681","","","0.1272","0.1914","","","","","","0.898","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534121","35.02","0.004","16.0741","0.0018","20.002","0.003","90","","111.769","0.007","90","","10456","2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H42 I2 N4 O8 -","- C45 H42 I2 N4 O8 -","- C360 H336 I16 N32 O64 -","8","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.2643","0.0822","","","0.2268","0.3508","","","","","","0.835","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534122","20.0623","0.0018","15.4284","0.0014","19.2848","0.0017","90","","120.843","0.005","90","","5125","0.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59 H63 N6 O8 -","- C59 H62 N6 O8 -","- C236 H248 N24 O32 -","4","0.5","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.1188","0.0507","","","0.1179","0.1471","","","","","","0.966","","","","has coordinates","160474","2020-10-21","18:00:00",""
"1534123","13.787","0.002","14.6","0.003","24.867","0.004","90","","105.219","0.011","90","","4829.9","1.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H48 N4 O8 -","- C47 H48 N4 O8 -","- C188 H192 N16 O32 -","4","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.2199","0.0708","","","0.1777","0.2478","","","","","","0.898","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534124","13.203","0.003","13.977","0.003","14.658","0.003","90.494","0.013","100.476","0.013","113.249","0.013","2434.2","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H50 Cl6 N4 O8 -","- C49 H50 Cl6 N4 O8 -","- C98 H100 Cl12 N8 O16 -","2","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.2899","0.0974","","","0.2499","0.3544","","","","","","0.934","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1534125","12.2439","0.0017","13.8398","0.0016","14.5323","0.0018","91.544","0.009","97.532","0.009","110.103","0.009","2285.7","0.5","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H44 N4 O8 -","- C45 H44 N4 O8 -","- C90 H88 N8 O16 -","2","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.1801","0.0676","","","0.1804","0.2348","","","","","","0.922","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534355","6.828","","6.828","","9.27","","90","","90","","90","","432.182","","","","","","","","","","","","","3","I 4/m","-I 4","87","","(N F4)2 Ni F6","","- F14 N2 Ni -","- F14 N2 Ni -","- F28 N4 Ni2 -","2","0.125","","Charpin, P.; Lance, M.; Tue, B.H; Bougon, R.","Crystallographic data on bis-tetrafluoroammonium hexafluoronickelate(IV), (N F4)2 Ni F6","Journal of Fluorine Chemistry","1981","17","","479","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534418","10.834","","10.834","","10.834","","90","","90","","90","","1271.65","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Li0.45 (Y0.45 Zr0.55) S2","","- Li0.45 S2 Y0.45 Zr0.55 -","- Li0.45 S2 Y0.45 Zr0.55 -","- Li7.2 S32 Y7.2 Zr8.8 -","16","0.0833333","","Abou Ghaloun, O.; Chevalier, P.; Rouxel, J.; Trichet, L.","Les conducteurs ioniques Lix Yx Zr1-x S2","Revue de Chimie Minerale","1980","17","","368","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534422","5.468","","5.468","","5.468","","90","","90","","90","","163.488","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Li0.95 (Y0.95 Zr0.05) S2","","- Li0.95 S2 Y0.95 Zr0.05 -","- Li0.95 S2 Y0.95 Zr0.05 -","- Li1.9 S4 Y1.9 Zr0.1 -","2","0.0104167","","Abou Ghaloun, O.; Chevalier, P.; Rouxel, J.; Trichet, L.","Les conducteurs ioniques Lix Yx Zr1-x S2","Revue de Chimie Minerale","1980","17","","368","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","161153","2020-10-21","18:00:00",""
"1534452","9.038","","9.33","","14.417","","89.07","","78.95","","87.21","","1191.72","","","","","","","","","","","","","6","P -1","-P 1","2","","(V O (O C (N H2)2)5) Br2 (O C (N H2)2) (H Br) H2 O","","- C6 H27 Br3 N12 O8 V -","- C6 Br3 N12 O8 V -","- C12 Br6 N24 O16 V2 -","2","1","","Sabirov, V.H.; Khodzhaev, O.F.; Litvinov, I.A.; Musaev, Z.M.; Usmankhodzhaeva, Ya.","Crystal structure of (VO(OC(NH2)2)5)Br2*OC(NH2)2* HBr H2O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","325","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534495","13.109","","13.109","","13.109","","90","","90","","90","","2252.73","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(N H4)6 (Bi Br6) Br (H F2)2","","- Bi Br7 F4 H26 N6 -","- Bi Br7 F4 H24 N6 -","- Bi4 Br28 F16 H96 N24 -","4","0.166667","","Gerasimenko, A. V.; Bukvetskii, B. V.; Davidovich, R. L.; Udovenko, A. A.","Crystal structure of threefold salt (NH4)3BiBr6*NH4Br* 2NH4HF2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","322","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","189099","2020-10-21","18:00:00",""
"1534498","22.964","","10.792","","6.777","","90","","90","","112.2","","1555.03","","","","","","","","","","","","","5","B 1 1 2/m","-B 2","12","","Cs6 (Hf4 F20 (H2 O)4) (Hf F6)","","- Cs6 F26 H8 Hf5 O4 -","- Cs6 F26 Hf5 O4 -","- Cs12 F52 Hf10 O8 -","2","0.25","","Gerasimenko, A.V.; Bukvetskii, B.V.; Logvinova, V.B.; Davidovich, R.L.","Crystal structure of double cesium fluorohafnate Cs4(Hf4F20(H2O)4)*Cs2HfF6","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","1486","1487","","","","","","","","","","","","","","","","","","","","","","has coordinates","209184","2020-10-21","18:00:00",""
"1534826","10.352","","6.639","","6.949","","108.03","","109.01","","123.79","","293.103","","","","","","","","","","","","","5","P -1","-P 1","2","","Co (Sn F3)2 (H2 O)6","","- Co F6 H12 O6 Sn2 -","- Co F6 O6 Sn2 -","- Co F6 O6 Sn2 -","1","0.5","","Gulya, A.P.; Shova, S.G.; Mazus, M.D.; Rakov, I.E.; Buslaev, Yu.A.; Kokunov, Yu.V.","Crystal and molecular structure of cobalt(II) trifluorostannate(II) hexahydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","492","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535079","20.705","","3.859","","13.367","","90","","133.07","","90","","780.218","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Tb5 Br8","","- Br8 Tb5 -","- Br8 Tb5 -","- Br16 Tb10 -","2","0.25","","Mattausch, H.J.; Simon, A.; Eger, R.","Metallreiche Lanthanoid-Bromide : Gd5 Br8 und Tb5 Br8.","Revue de Chimie Minerale","1980","17","","5516","5521","","","","","","","","","","","","","","","","","","","","","","has coordinates","162264","2020-10-21","18:00:00",""
"1535082","20.997","","3.884","","13.553","","90","","133.2","","90","","805.714","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Gd5 Br8","","- Br8 Gd5 -","- Br8 Gd5 -","- Br16 Gd10 -","2","0.25","","Mattausch, H.J.; Simon, A.; Eger, R.","Metallreiche Lanthanoid-Bromide : Gd5 Br8 und Tb5 Br8","Revue de Chimie Minerale","1980","17","","5516","5521","","","","","","","","","","","","","","","","","","","","","","has coordinates","162268","2020-10-21","18:00:00",""
"1535318","5.788","","5.788","","5.788","","90","","90","","90","","193.903","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(Pt0.4 Rh0.3 Ru0.3) As S","","- As Pt0.4 Rh0.3 Ru0.3 S -","- As Pt0.4 Rh0.3 Ru0.3 S -","- As4 Pt1.6 Rh1.2 Ru1.2 S4 -","4","0.166667","","Szymanski, J.T.","The crystal structure of platarsite, Pt (As, S)2, and a comparison with sperrylite, Pt As2","Canadian Mineralogist","1979","17","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535334","6.943","","7.573","","10.26","","90.4","","102.7","","90.6","","526.213","","","","","","","","","","","","","5","P -1","-P 1","2","","K2 (Os (N O) (N O2)2 Cl3)","","- Cl3 K2 N3 O5 Os -","- Cl3 K2 N3 O5 Os -","- Cl6 K4 N6 O10 Os2 -","2","1","","Mikhailov, Yu.N.; Kanishcheva, A.S.; Svetlov, A.A.","Synthesis and crystal structure of compounds M2 (Os N O (N O2)2 Cl3) * n(H2 O)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","537","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535487","7.973","","7.923","","7.911","","90","","90","","121.68","","425.275","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","(N H4) (Zr F5)","","- F5 H4 N Zr -","- F5 N Zr -","- F20 N4 Zr4 -","4","1","","Tkachev, V.V.; Davidovich, R.L.; Atovmyan, L.O.","Crystal structure of waterless ammonium pentafluorozirconate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","1483","1484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535490","10.723","","7.529","","6.761","","90","","78.24","","90","","534.382","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N H4 (Zr F5 (H2 O))","","- F5 H6 N O Zr -","- F5 H6 N O Zr -","- F20 H24 N4 O4 Zr4 -","4","1","","Tkachev, V.V.; Atovmyan, L.O.; Davidovich, R.L.; Udovenko, A.A.","Crystal structure of ammonium pentafluorozirconate monohydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","1635","1639","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535566","9.943","","9.943","","9.943","","90","","90","","90","","982.997","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Cu (Cr Ti) S4","","- Cr Cu S4 Ti -","- Cr Cu S4 Ti -","- Cr8 Cu8 S32 Ti8 -","8","0.0416667","","Tremblet, M.; Colombet, P.; Danot, M.; Rouxel, J.","Les systemes pseudo-binaires Cu Cr S2 - M S2 (M = Ti, Sn): les spinelles Cu(y) Cr(y) M(2-y) S4 (Cu(x) Cr(x) M(1-x) S2)","Revue de Chimie Minerale","1980","17","","183","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535569","9.916","","9.916","","9.916","","90","","90","","90","","975.011","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Cu0.8 (Cr0.8 Ti1.2) S4","","- Cr0.8 Cu0.8 S4 Ti1.2 -","- Cr0.8 Cu0.8 S4 Ti1.2 -","- Cr6.4 Cu6.4 S32 Ti9.6 -","8","0.0416667","","Tremblet, M.; Colombet, P.; Danot, M.; Rouxel, J.","Les systemes pseudo-binaires Cu Cr S2 - M S2 (M = Ti, Sn): les spinelles Cu(y) Cr(y) M(2-y) S4 (Cu(x) Cr(x) M(1-x) S2)","Revue de Chimie Minerale","1980","17","","183","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535572","10.289","","10.289","","10.289","","90","","90","","90","","1089.23","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Cu0.2 (Cr0.2 Sn1.8) S4","","- Cr0.2 Cu0.2 S4 Sn1.8 -","- Cr0.2 Cu0.2 S4 Sn1.8 -","- Cr1.6 Cu1.6 S32 Sn14.4 -","8","0.0416667","","Tremblet, M.; Colombet, P.; Danot, M.; Rouxel, J.","Les systemes pseudo-binaires Cu Cr S2 - M S2 (M = Ti, Sn): les spinelles Cu(y) Cr(y) M(2-y) S4 (Cu(x) Cr(x) M(1-x) S2)","Revue de Chimie Minerale","1980","17","","183","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535575","10.236","","10.236","","10.236","","90","","90","","90","","1072.48","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Cu0.6 (Cr0.6 Sn1.4) S4","","- Cr0.6 Cu0.6 S4 Sn1.4 -","- Cr0.6 Cu0.6 S4 Sn1.4 -","- Cr4.8 Cu4.8 S32 Sn11.2 -","8","0.0416667","","Tremblet, M.; Colombet, P.; Rouxel, J.; Danot, M.","Les systemes pseudo-binaires Cu Cr S2 - M S2 (M = Ti, Sn): les spinelles Cu(y) Cr(y) M(2-y) S4 (Cu(x) Cr(x) M(1-x) S2)","Revue de Chimie Minerale","1980","17","","183","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535579","9.918","","9.918","","9.918","","90","","90","","90","","975.601","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Cu (Cr1.2 Ti0.8) S4","","- Cr1.2 Cu S4 Ti0.8 -","- Cr1.2 Cu S4 Ti0.8 -","- Cr9.6 Cu8 S32 Ti6.4 -","8","0.0416667","","Tremblet, M.; Colombet, P.; Danot, M.; Rouxel, J.","Les systemes pseudo-binaires Cu Cr S2 - M S2 (M = Ti, Sn): les spinelles Cu(y) Cr(y) M(2-y) S4 (Cu(x) Cr(x) M(1-x) S2)","Revue de Chimie Minerale","1980","17","","183","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535583","10.125","","10.125","","10.125","","90","","90","","90","","1037.97","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Cu Cr1.2 Sn0.8 S4","","- Cr1.2 Cu S4 Sn0.8 -","- Cr1.2 Cu S4 Sn0.8 -","- Cr9.6 Cu8 S32 Sn6.4 -","8","0.0416667","","Tremblet, M.; Colombet, P.; Rouxel, J.; Danot, M.","Les systemes pseudo-binaires Cu Cr S2 - M S2 (M = Ti, Sn): les spinelles Cu(y) Cr(y) M(2-y) S4 (Cu(x) Cr(x) M(1-x) S2)","Revue de Chimie Minerale","1980","17","","183","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535661","23.013","","15.158","","6.721","","90","","90","","118.76","","2055.28","","","","","","","","","","","","","5","B 1 1 b","B -2b","9","","N H4 Zr F5 (H2 O)0.75","","- F5 H5.5 N O0.75 Zr -","- F5 H5.5 N O0.75 Zr -","- F80 H88 N16 O12 Zr16 -","16","4","","Bukvetskii, B.V.; Gerasimenko, A.V.; Davidovich, R.L.","Crystal structures of ammonium fluorozirkonates NH4ZrF5*0.75H2O and (NH4)2ZrF6","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535664","13.396","","7.728","","11.669","","90","","90","","90","","1208.03","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(N H4)2 (Zr F6)","","- F6 H8 N2 Zr -","- F6 H8 N2 Zr -","- F48 H64 N16 Zr8 -","8","2","","Bukvetskii, B.V.; Davidovich, R.L.; Gerasimenko, A.V.","Crystal structures of ammonium fluorozirconates N H4 Zr F5 * 0.75 H2 O and (N H4)2 Zr F6","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535810","21.083","","21.083","","21.083","","90","","90","","90","","9371.24","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","((N H4)2 (Cu3 Cl5)) (C2 H2)0.4 (H2 O)0.4","","- Cl5 Cu2.99911 N2 O0.4 -","- Cl5 Cu2.99911 N2 O0.4 -","- Cl180 Cu107.968 N72 O14.4 -","36","0.75","","Mykhalichko, B.M.; Mys'kiv, M.G.; Osechkin, S.I.; Zavalii, P.Yu.; Mazus, M.D.","X-ray structural study of anionic copper(I) complexes of Nieuwland system N H4 Cl - Cu Cl - C2 H2.","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","827","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","163282","2020-10-21","18:00:00",""
"1535829","9.203","","9.493","","8.685","","90","","90","","103.8","","736.855","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","K (Bi Cl3 (N O3))","","- Bi Cl3 K N O3 -","- Bi Cl3 K N O3 -","- Bi4 Cl12 K4 N4 O12 -","4","1","","Udovenko, A.A.; Davidovich, R.L.","Crystal structure of potassium nitratotrichlorobismuthate(III) KBiCl3NO3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","1354","1356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535832","9.064","","9.064","","14.339","","90","","90","","120","","1020.21","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","K6 (Bi Cl6) Cl2 (H3 F4)","","- Bi Cl8 F4 H3 K6 -","- Bi Cl8 F4 H3 K6 -","- Bi2 Cl16 F8 H6 K12 -","2","0.166667","","Udovenko, A.A.; Davidovich, R.L.","Crystal structure of triple salt K3BiCl6*2KCl*KH3F4 at 103K","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","1545","1546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535989","7.12","","11.34","","6.559","","90","","90","","90","","529.579","","","","","","","","","","","","","3","I m a 2","I 2 -2a","46","","Rh Mn Ge","","- Ge Mn Rh -","- Ge Mn Rh -","- Ge12 Mn12 Rh12 -","12","1.5","","Venturini, G.; Malaman, B.; Steinmetz, J.; Roques, B.; Courtois, A.","Distribution des atomes metalliques dans les structures apparentees des trois composes ternaires equiatomiques: Rh Mn Si, isotype de Co2 P, Rh Mn Ge, isotype de Ti Fe Si et Pd Mn Ge, isotype de Fe2 P","Materials Research Bulletin","1982","17","","259","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535991","6.639","","6.639","","3.577","","90","","90","","120","","136.538","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Pd Mn Ge","","- Ge Mn Pd -","- Ge Mn Pd -","- Ge3 Mn3 Pd3 -","3","0.25","","Venturini, G.; Malaman, B.; Steinmetz, J.; Roques, B.; Courtois, A.","Distribution des atomes metalliques dans les structures apparentees des trois composes ternaires equiatomiques: Rh Mn Si, isotype de Co2 P, Rh Mn Ge, isotype de Ti Fe Si et Pd Mn Ge, isotype de Fe2 P","Materials Research Bulletin","1982","17","","259","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536102","4.269","","4.269","","10.248","","90","","90","","120","","161.742","","","","","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","Tl (Sn2 F5)","","- F5 Sn2 Tl -","- F4.9998 Sn2 Tl -","- F4.9998 Sn2 Tl -","1","0.166667","","Vilminot, S.; Granier, W.; Perez, G.; Cot, L.","Sur le compose Tl Sn2 F5 conducteur ionique par F-","Revue de Chimie Minerale","1980","17","","397","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536263","9.93","","9.93","","2.936","","90","","90","","90","","289.504","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K1.8 (Li2.45 Sb5.55) O16","","- K1.8 Li2.45 O16 Sb5.55 -","- K1.76 Li2.448 O16 Sb5.552 -","- K1.76 Li2.448 O16 Sb5.552 -","1","0.0625","","Watelet, H.; Baud, G.; Besse, J.P.; Chevalier, R.","Determination structurale et proprietes de conduction d'un nouveau compose de type hollandite: K1.8 (Li2.45 Sb5.55) O16 ; mise en evidence d'une substructure d'ordre 3","Materials Research Bulletin","1982","17","","863","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","163914","2020-10-21","18:00:00",""
"1536279","10.505","","13.147","","6.072","","90","","90","","90","","838.599","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs Cu2 I3 -","- Cs Cu2 I3 -","- Cs4 Cu8 I12 -","4","0.25","","Jouini, N.; Guen, L.; Tournoux, M.","Structure cristalline de Cs Cu2 I3","Revue de Chimie Minerale","1980","17","","486","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536593","6.369","","3.8063","","14.815","","90","","90","","90","","359.15","","","","","","","","","","","","","4","P n m m :2","-P 2c 2bc","59","","K Ti3 (Sb O9)","","- K O9 Sb Ti3 -","- K O9 Sb Ti3 -","- K2 O18 Sb2 Ti6 -","2","0.25","","Piffard, Y.; Marchand, R.; Tournaux, M.","Structure cristalline de K Ti3 (Sb O9)","Revue de Chimie Minerale","1980","17","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536683","15.21","","6.91","","18.196","","90","","93.47","","90","","1908.91","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","I F5","","- F5 I -","- F5 I -","- F100 I20 -","20","2.5","","Ellern, A.M.; Antipin, M.Yu.; Sukhoverkhov, V.F.; Struchkov, Yu.T.","Solid phase - liquid balance in I F5 - B F5 system.Molecular and crystal structure of I F5 at -60.","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","1220","1223","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1536687","4.998","","5.146","","5.658","","90","","89.91","","90","","145.522","","","","","","","","","","","","","3","P -1","-P 1","2","","(Cl F2) (Os F6)","","- Cl F8 Os -","- Cl F8 Os -","- Cl F8 Os -","1","0.5","","Ellern, A.M.; Sharabarin, A.V.; Sinitsyn, N.M.; Antipin, M.Yu.; Struchkov, Yu.T.","Synthesis and structure of hexafluoroosmate difluorochloronium ClF2OsF6","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","1686","1688","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536701","10.024","","10.024","","13.688","","90","","90","","90","","1375.38","","","","","","","","","","","","","4","P 42/n c m :1","P 4n 2ab -1n","138","","Na2 (B12 H12) (H2 O)4","","- B12 H20 Na2 O4 -","- B12 H20 Na2 O4 -","- B48 H80 Na8 O16 -","4","0.25","","Ponomarev, V.I.; Kuznetsov, N.T.; Lyubeznova, T.Yu.; Solntsev, K.A.","Dynamic structure of Na2 B12 H12 *4 H2 O in temperature interval 130-300 K. Structural transformation at 255 K.","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1991","17","","21","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536855","5.397","","10.587","","13.313","","90","","90","","90","","760.679","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Tl2 Fe3 S4","","- Fe3 S4 Tl2 -","- Fe3 S4 Tl2 -","- Fe12 S16 Tl8 -","4","0.25","","Zabel, M.; Range, K.J.","Struktur und Phasenumwandlugen von Tl2 Fe3 S4","Revue de Chimie Minerale","1980","17","","561","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","164742","2020-10-21","18:00:00",""
"1537253","8.136","","6.879","","7.761","","88.94","","104.78","","110.91","","391.065","","","","","","","","","","","","","4","P -1","-P 1","2","","Cs H3 P2 O7 (H2 O)","","- Cs H5 O8 P2 -","- Cs H5 O8 P2 -","- Cs2 H10 O16 P4 -","2","1","","Larbot, A.; Durand, J.; Norbert, A.","Structure cristalline de Cs H3 P2 O7 (H2 O)","Revue de Chimie Minerale","1980","17","","5548","5554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537442","3.436","","3.436","","25.532","","90","","90","","120","","261.049","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Ta Se2","","- Se2 Ta -","- Se2 Ta -","- Se8 Ta4 -","4","0.333333","","Huisman, R.; Jellinek, F.","On the polymorphism of tantalum diselenide","Journal of the Less-Common Metals","1969","17","","111","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537466","8.7162","","8.7162","","8.7162","","90","","90","","90","","662.188","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","Re3 As7","","- As7 Re3 -","- As7 Re3 -","- As28 Re12 -","4","0.0416667","","Jensen, K.P.; Kjekshus, A.; Skansen, T.","The crystal structure of Re3 As7","Journal of the Less-Common Metals","1969","17","","455","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","165653","2020-10-21","18:00:00",""
"1537568","8.71","","7.55","","9.37","","90","","93","","90","","615.331","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","K2 (Cr4 O13)","","- Cr4 K2 O13 -","- Cr4 K2 O13 -","- Cr8 K4 O26 -","2","1","","Kuz'min, E.A.; Golovachev, V.P.; Belov, N.V.; Kharitonov, Yu.A.","Systematic analysis of the patterson function on the basis of crystal symmetry. III. Application to analysis of the crystal structure of potassium tetrachromate","Kristallografiya","1972","17","","929","933","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1537759","5.079","","5.079","","4.916","","90","","90","","120","","109.824","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Po -","- Po -","- Po3 -","3","0.0833333","","Beamer, W.H.; Maxwell, C.R.","Physical properties of polonium. II. X-Ray studies and crystal structure","Journal of Chemical Physics","1949","17","","1293","1298","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537793","4.35","","4.35","","5.55","","90","","90","","120","","90.95","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- In2 Pt1.34 -","- In2 Pt1.34 -","- In2 Pt1.34 -","1","0.0416667","","Bhan, S.; Schubert, K.","eber die Struktur von Phasen mit Kupfer Unterstruktur in einigen t-b Legierungen (T= Ni, Pd, Pt; B = Ga, In, Tl, Pb, Sb, Bi)","Journal of the Less-Common Metals","1969","17","","73","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537863","5.159","","5.159","","5.159","","90","","90","","90","","137.308","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Nb3 Pt -","- Nb3 Pt -","- Nb6 Pt2 -","2","0.0416667","","Bongi, G.; Jones, H.; Flukiger, R.; Treyvaud, A.; Fischer, O.; Schneider, D.","The behavior of magnetic and nonmagnetic impurities in the system Nb76 Pt24-x Fex","Journal of Low Temperature Physics","1974","17","","223","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537895","3.2351","","3.2351","","5.1892","","90","","90","","120","","47.033","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Pu Zr9)0.2","","- Pu0.2 Zr1.8 -","- Pu0.2 Zr1.8 -","- Pu0.2 Zr1.8 -","1","0.0416667","","Ellinger, F.H.; Land, C.C.","On the plutonium-zirconium phase diagram","Nuclear Metallurgy","1971","17","","686","698","","","","","","","","","","","","","","","","","","","","","","has coordinates","166277","2020-10-21","18:00:00",""
"1538083","3.5099","","3.5099","","5.5666","","90","","90","","120","","59.39","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Lu -","- Lu -","- Lu2 -","2","0.0833333","","Harris, I.R.; Raynor, G.V.","Some observations on the crystal structures of the rare-earth metals and alloys","Journal of the Less-Common Metals","1969","17","","336","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538316","13.313","","10.284","","9.219","","90","","90","","90","","1262.18","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb8 Bi2 (P O4)6 O2","","- Bi2 O26 P6 Pb8 -","- Bi2 O26 P6 Pb8 -","- Bi4 O52 P12 Pb16 -","2","0.25","","Moore, E.P.; Chen, H.-Y.; Brixner, L.H.; Foris, C.M.","The Crystal Structure of Pb8 Bi2 (P O4)6 O2","Materials Research Bulletin","1982","17","","653","660","","","","","","","","","","","","","","","","","","","","","","has coordinates","166773","2020-10-21","18:00:00",""
"1538336","10.192","","10.192","","6.5","","90","","90","","120","","584.74","","","","","","","","","","","","","3","P -3","-P 3","147","","(O2)2 (Ti7 F30)","","- F30 O4 Ti7 -","- F30 O3.6822 Ti7 -","- F30 O3.6822 Ti7 -","1","0.166667","","Mueller, B.G.","Zur Kenntnis von ((O2)2)2+ ((Ti7 F30)2-","Journal of Fluorine Chemistry","1981","17","","489","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","166805","2020-10-21","18:00:00",""
"1538338","17.552","","8.373","","9.101","","90","","102.3","","90","","1306.81","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(O2) (Mn2 F9)","","- F9 Mn2 O2 -","- F9 Mn2 O2 -","- F72 Mn16 O16 -","8","1","","Mueller, B.G.","Zur Kenntnis von (O2)(+) (Mn2 F9)(-)","Journal of Fluorine Chemistry","1981","17","","409","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","166807","2020-10-21","18:00:00",""
"1538345","9.759","","5.635","","4.743","","90","","90","","90","","260.827","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Mg2 P N3","","- Mg2 N3 P -","- Mg2 N3 P -","- Mg8 N12 P4 -","4","0.5","","Marchand, R.; Laurent, Y.","Mise en evidence de tetraedres P N4 dans le nitrure Mg2 P N3 de type Wurtzite","Materials Research Bulletin","1982","17","","399","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538362","6.397","","6.397","","18.027","","90","","90","","120","","638.862","","","","","","","","","","","","","3","P 61","P 61","169","","Mn.23 Ga1.85 S3","","- Ga1.85 Mn0.23 S3 -","- Ga1.84 Mn0.23 S3 -","- Ga11.04 Mn1.38 S18 -","6","1","","Nguyen, H.D.; Pardo, M.P.; Dogguy Smiri, L.","Contribution a l'etude du polymorphisme de Ga2 S3: structure cristalline de Mn.23 Ga1.85 S3","Materials Research Bulletin","1982","17","","293","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","166875","2020-10-21","18:00:00",""
"1538477","8.431","","8.431","","8.431","","90","","90","","90","","599.29","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Fe1.8 In.2 O4","","- Fe1.8 In0.2 Mg O4 -","- Fe1.8 In0.2 Mg O4 -","- Fe14.4 In1.6 Mg8 O32 -","8","0.0416667","","Pokrovskii, B.I.; Gapeev, A.K.; Igonina, I.V.; Komissarova, L.N.; Pokholov, K.V.; Babeshkin, A.M.","Structure of Mixed Magnesium and Manganese Ferrite - Indates","Kristallografiya","1972","17","","793","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538478","8.535","","8.535","","8.535","","90","","90","","90","","621.743","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Fe1.4 In.6 O4","","- Fe1.4 In0.6 Mg O4 -","- Fe1.4 In0.6 Mg O4 -","- Fe11.2 In4.8 Mg8 O32 -","8","0.0416667","","Pokrovskii, B.I.; Babeshkin, A.M.; Gapeev, A.K.; Pokholov, K.V.; Igonina, I.V.; Komissarova, L.N.","Structure of Mixed Magnesium and Manganese Ferrite - Indates","Kristallografiya","1972","17","","793","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538479","8.864","","8.864","","8.864","","90","","90","","90","","696.449","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Mg In2 O4","","- In2 Mg O4 -","- In2 Mg O4 -","- In16 Mg8 O32 -","8","0.0416667","","Pokrovskii, B.I.; Babeshkin, A.M.; Pokholov, K.V.; Gapeev, A.K.; Komissarova, L.N.; Igonina, I.V.","Structure of Mixed Magnesium and Manganese Ferrite - Indates","Kristallografiya","1972","17","","793","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538480","8.562","","8.562","","8.562","","90","","90","","90","","627.662","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mn Fe1.8 In.2 O4","","- Fe1.8 In0.2 Mn O4 -","- Fe1.8 In0.2 Mn O4 -","- Fe14.4 In1.6 Mn8 O32 -","8","0.0416667","","Pokrovskii, B.I.; Gapeev, A.K.; Igonina, I.V.; Pokholov, K.V.; Komissarova, L.N.; Babeshkin, A.M.","Structure of Mixed Magnesium and Manganese Ferrite - Indates","Kristallografiya","1972","17","","793","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538481","8.614","","8.614","","8.614","","90","","90","","90","","639.167","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mn Fe1.6 In.4 O4","","- Fe1.6 In0.4 Mn O4 -","- Fe1.57 In0.4 Mn O4 -","- Fe12.56 In3.2 Mn8 O32 -","8","0.0416667","","Pokrovskii, B.I.; Gapeev, A.K.; Pokholov, K.V.; Komissarova, L.N.; Igonina, I.V.; Babeshkin, A.M.","Structure of Mixed Magnesium and Manganese Ferrite - Indates","Kristallografiya","1972","17","","793","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538482","8.671","","8.671","","8.671","","90","","90","","90","","651.94","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mn Fe1.4 In.6 O4","","- Fe1.4 In0.6 Mn O4 -","- Fe1.4 In0.6 Mn O4 -","- Fe11.2 In4.8 Mn8 O32 -","8","0.0416667","","Pokrovskii, B.I.; Gapeev, A.K.; Pokholov, K.V.; Komissarova, L.N.; Igonina, I.V.; Babeshkin, A.M.","Structure of Mixed Magnesium and Manganese Ferrite - Indates","Kristallografiya","1972","17","","793","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538483","8.714","","8.714","","8.714","","90","","90","","90","","661.687","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mn Fe1.2 In.8 O4","","- Fe1.2 In0.8 Mn O4 -","- Fe1.2 In0.8 Mn O4 -","- Fe9.6 In6.4 Mn8 O32 -","8","0.0416667","","Pokrovskii, B.I.; Babeshkin, A.M.; Gapeev, A.K.; Komissarova, L.N.; Pokholov, K.V.; Igonina, I.V.","Structure of Mixed Magnesium and Manganese Ferrite - Indates","Kristallografiya","1972","17","","793","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538484","8.819","","8.819","","8.819","","90","","90","","90","","685.896","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mn Fe.8 In1.2 O4","","- Fe0.8 In1.2 Mn O4 -","- Fe0.8 In1.2 Mn O4 -","- Fe6.4 In9.6 Mn8 O32 -","8","0.0416667","","Pokrovskii, B.I.; Gapeev, A.K.; Pokholov, K.V.; Komissarova, L.N.; Igonina, I.V.; Babeshkin, A.M.","Structure of Mixed Magnesium and Manganese Ferrite - Indates","Kristallografiya","1972","17","","793","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538485","8.9","","8.9","","8.9","","90","","90","","90","","704.969","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mn Fe.4 In1.6 O4","","- Fe0.4 In1.6 Mn O4 -","- Fe0.4 In1.6 Mn O4 -","- Fe3.2 In12.8 Mn8 O32 -","8","0.0416667","","Pokrovskii, B.I.; Gapeev, A.K.; Komissarova, L.N.; Pokholov, K.V.; Babeshkin, A.M.; Igonina, I.V.","Structure of Mixed Magnesium and Manganese Ferrite - Indates","Kristallografiya","1972","17","","793","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538486","9.007","","9.007","","9.007","","90","","90","","90","","730.702","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Mn In2 O4","","- In2 Mn O4 -","- In2 Mn O4 -","- In16 Mn8 O32 -","8","0.0416667","","Pokrovskii, B.I.; Gapeev, A.K.; Babeshkin, A.M.; Pokholov, K.V.; Komissarova, L.N.; Igonina, I.V.","Structure of Mixed Magnesium and Manganese Ferrite - Indates","Kristallografiya","1972","17","","793","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538596","7.41","","7.41","","7.41","","90","","90","","90","","406.869","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Hf V4 Zr -","- Hf V4 Zr -","- Hf4 V16 Zr4 -","4","0.0208333","","Lawson, A.C.","Low-temperature crystal structures and superconductivity of (Hf1-xZrx)V2 alloys","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1978","17","","1136","1138","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538786","6.2","","6.2","","6.2","","90","","90","","90","","238.328","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Mn Pt Sb -","- Mn Pt Sb -","- Mn4 Pt4 Sb4 -","4","0.0416667","","Masumoto, Hakaru; Watanabe, Kiyoshi","Magnetic Properties of Cl~b~-Type Pseudo-Ternary Intermetallic Compounds Pt~1-x~Au~x~MnSb","Transactions of the Japan Institute of Metals","1976","17","9","588","591","10.2320/matertrans1960.17.588","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538789","4.182","","4.182","","3.467","","90","","90","","90","","60.635","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Mn Rh2 Sb","","- Mn1.1 Rh2 Sb0.9 -","- Mn1.1 Rh2 Sb0.9 -","- Mn1.1 Rh2 Sb0.9 -","1","0.0625","","Masumoto, Hakaru; Watanabe, Kiyoshi","Crystal Structures and Magnetic Properties of the System Rh~1~Mn~1-x~Sb~x~","Transactions of the Japan Institute of Metals","1976","17","5","303","307","10.2320/matertrans1960.17.303","","","","","","","","","","","","","","","","","","","","","has coordinates","176270","2020-10-21","18:00:00",""
"1538842","3.867","","3.867","","3.867","","90","","90","","90","","57.826","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mn4 N -","- Mn4 N -","- Mn4 N -","1","0.0208333","","Mekata, M.","Magnetic study on Mn4 N and its related compounds","Journal of the Physical Society of Japan","1962","17","","796","803","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538891","3.241","","3.241","","3.241","","90","","90","","90","","34.044","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Nb4 Rh)0.4","","- Nb1.6 Rh0.4 -","- Nb1.6 Rh0.4 -","- Nb1.6 Rh0.4 -","1","0.0104167","","Oesterreicher, H.; Clinton, J.","Superconductivity in hydrides of Nb - Pd and Nb - Rh","Journal of Solid State Chemistry","1976","17","","443","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","167589","2020-10-21","18:00:00",""
"1539054","4.903","","4.903","","4.903","","90","","90","","90","","117.865","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- La Pb3 -","- La Pb3 -","- La Pb3 -","1","0.0208333","","Rossi, A.","La struttura cristallina di La Sn3 e La Pb3","Atti della Accademia Nazionale dei Lincei, Classe di Fisiche, Matematiche e Naturali, Rendiconti","1933","17","","839","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539055","4.782","","4.782","","4.782","","90","","90","","90","","109.352","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- La Sn3 -","- La Sn3 -","- La Sn3 -","1","0.0208333","","Rossi, A.","La struttura cristallina di La Sn3 e La Pb3","Atti della Accademia Nazionale dei Lincei, Classe di Fisiche, Matematiche e Naturali, Rendiconti","1933","17","","839","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539074","3.223","","3.223","","3.191","","90","","90","","120","","28.706","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","","- Mo P -","- Mo P -","- Mo P -","1","0.0833333","","Rundqvist, S.; Lundstroem, T.","X-ray studies of molybdenum and tungsten phosphides","Acta Chemica Scandinavica (1-27,1973-42,1988)","1963","17","","37","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539077","10.4","","10.4","","10.4","","90","","90","","90","","1124.86","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Sb2 Yb Te4","","- Sb2 Te4 Yb -","- Sb2.001 Te4 Yb0.999 -","- Sb8.004 Te16 Yb3.996 -","4","0.0833333","","Rustamov, P.G.; Maksudova, T.F.; Aliev, O.M.","Phase equilibria in the Yb-Sb-Te system over the cross section Yb Te - Sb2 Te3","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1981","17","","692","695","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539078","10.625","","10.625","","10.625","","90","","90","","90","","1199.46","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Sb4.56 Yb1.14 Te8","","- Sb4.56 Te8 Yb1.14 -","- Sb4.56 Te8 Yb1.14 -","- Sb9.12 Te16 Yb2.28 -","2","0.0416667","","Rustamov, P.G.; Aliev, O.M.; Maksudova, T.F.","Phase equilibria in the Yb-Sb-Te system over the cross section Yb Te - Sb2 Te3","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1981","17","","692","695","","","","","","","","","","","","","","","","","","","","","","has coordinates","167814","2020-10-21","18:00:00",""
"1539089","4.498","","4.498","","4.498","","73.93","","73.93","","73.93","","82.032","","","","","","","","","","","","","3","R 3 m :R","P 3* -2","160","","K (N O3)","","- K N O3 -","- K N O3 -","- K N O3 -","1","0.166667","","Shinnaka, Y.","X-ray study on the disordered structure above the ferroelectric curie point in potassium nitrate","Journal of the Physical Society of Japan","1962","17","","820","828","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539135","16.571","0.0018","5.5448","0.0005","20.45","0.002","90","","111.604","0.013","90","","1747","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl N2 O3 -","- C20 H15 Cl N2 O3 -","- C80 H60 Cl4 N8 O12 -","4","1","","Li, Danyang; Yu, Ming; Zhang, Jitan; Liu, Zhanxiang; Zhang, Yuhong","Synthesis of Benzyl Esters via Functionalization of Multiple C-H Bonds by Palladium Catalysis.","Organic letters","2015","17","21","5300","5303","10.1021/acs.orglett.5b02518","","","0.71073","MoKα","","0.0731","0.0432","","","0.1047","0.1251","","","","","","1.002","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1539514","8.508","","8.508","","5.932","","90","","90","","90","","429.394","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Sb2 Zn O4","","- O4 Sb2 Zn -","- O4 Sb2 Zn -","- O16 Sb8 Zn4 -","4","0.25","","Stahl, S.","The crystal structure of Zn Sb3 O4 and isomorpous compounds","Arkiv foer Kemi, Mineralogi och Geologi","1943","17","","1","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539613","4.6","","4.76","","15.45","","90","","90","","90","","338.293","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Ag3 Tl Te2","","- Ag3 Te2 Tl -","- Ag3 Te2 Tl -","- Ag6 Te4 Tl2 -","2","0.25","","Avilov, A.S.; Pinsker, Z.G.; Imamov, R.M.","Crystal structure of Ag3 Tl Te2","Soviet Physics, Crystallography (= Kristallografiya)","1972","17","","237","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540058","3.5426","","3.5426","","5.5708","","90","","90","","120","","60.547","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Tm -","- Tm -","- Tm2 -","2","0.0833333","","Harris, I.R.; Raynor, G.V.","Some observations on the crystal structures of the rare-earth metals and alloys","Journal of the Less-Common Metals","1969","17","","336","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540119","9.854","","5.04","","7.134","","90","","109.9","","90","","333.148","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","V3 O5","","- O5 V3 -","- O5 V3 -","- O20 V12 -","4","1","","Horiuchi, H.; Morimoto, N.; Tokonami, M.","Crystal structures of Vn O2n-1(2 <= n <= 7)","Journal of Solid State Chemistry","1976","17","","407","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","169302","2020-10-21","18:00:00",""
"1540373","20.4242","0.0004","25.5132","0.0004","32.3262","0.0007","90","","105.672","0.001","90","","16218.5","0.5","90","0.5","90","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C135 H42 Cl3 O2 -","- C126 H36 O2 -","- C1008 H288 O16 -","8","1","","Abeyratne Kuragama, Peumie L.; Fronczek, Frank R.; Sygula, Andrzej","Bis-corannulene Receptors for Fullerenes Based on Klärner's Tethers: Reaching the Affinity Limits.","Organic letters","2015","17","21","5292","5295","10.1021/acs.orglett.5b02666","","","1.54184","CuKα","","0.0692","0.0589","","","0.1515","0.1574","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540374","6.2372","0.0009","11.1508","0.0016","28.596","0.004","90","","90","","90","","1988.8","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O6 S -","- C16 H26 N2 O6 S -","- C64 H104 N8 O24 S4 -","4","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.1194","0.0509","","","0.1157","0.1467","","","","","","0.976","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540375","6.282","0.002","9.924","0.004","24.859","0.01","90","","90","","90","","1549.8","1","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O6 -","- C13 H21 N O6 -","- C52 H84 N4 O24 -","4","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.1392","0.0587","","","0.1363","0.1637","","","","","","0.958","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540376","10.248","0.002","9.553","0.002","11.932","0.003","90","","99.477","0.004","90","","1152.2","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N O8 -","- C16 H27 N O8 -","- C32 H54 N2 O16 -","2","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.0776","0.0524","","","0.1165","0.1261","","","","","","0.956","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540377","10.375","0.0011","17.5559","0.0019","10.8576","0.0012","90","","95.023","0.002","90","","1970","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O6 -","- C17 H28 N2 O6 -","- C68 H112 N8 O24 -","4","2","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.0564","0.0411","","","0.1002","0.1085","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540378","11.0948","0.0013","6.112","0.0007","15.1863","0.0018","90","","92.704","0.002","90","","1028.7","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O6 S -","- C19 H24 N2 O6 S -","- C38 H48 N4 O12 S2 -","2","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.048","0.0459","","","0.1208","0.1229","","","","","","1.112","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540379","9.6081","0.0009","10.7346","0.001","20.0544","0.0018","90","","91.493","0.001","90","","2067.7","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","2","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.0462","0.0396","","","0.1067","0.1113","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540392","5.674","0.001","7.086","0.002","9.745","0.002","90","","90","","90","","391.81","0.15","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Strontium Barium Silicate (1.9/0.1/1) - Alpha","","- Ba0.1 O4 Si Sr1.9 -","- Ba0.1 O4 Si Sr1.9 -","- Ba0.4 O16 Si4 Sr7.6 -","4","0.5","","Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing","Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties","CrystEngComm","2015","17","47","9123","","10.1039/C5CE01605C","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540393","5.6796","0.0004","7.1386","0.0006","9.7639","0.0001","90","","90","","90","","395.87","0.04","300","2","295","1","","","","","","","","5","P m n b","-P 2bc 2a","62","","Strontium Barium Silicate Oxynitride","","- Ba0.15 N O4 Si Sr2.85 -","- Ba0.15 N O4 Si Sr2.85 -","- Ba0.6 N4 O16 Si4 Sr11.4 -","4","0.5","","Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing","Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties","CrystEngComm","2015","17","47","9123","","10.1039/C5CE01605C","","","0.71073","","","0.047","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540534","12.452","0.002","9.3523","0.0016","11.841","0.002","90","","98.748","0.004","90","","1362.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Zhou, Zhi; Liu, Guixia; Chen, Yan; Lu, Xiyan","Cascade Synthesis of 3-Alkylidene Dihydrobenzofuran Derivatives via Rhodium(III)-Catalyzed Redox-Neutral C-H Functionalization/Cyclization.","Organic letters","2015","17","23","5874","5877","10.1021/acs.orglett.5b03060","","","0.71073","MoKα","","0.0894","0.0641","","","0.1315","0.1392","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540535","11.3831","0.0003","11.7165","0.0003","12.5092","0.0003","77.777","0.002","83.9","0.002","89.052","0.002","1621.27","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H28 Cl4 O -","- C44 H28 Cl4 O -","- C88 H56 Cl8 O2 -","2","1","","Das, Soumyajit; Wu, Jishan","Toward Singlet-Triplet Bistable Nonalternant Kekulé Hydrocarbons: Azulene-to-Naphthalene Rearrangement.","Organic letters","2015","17","23","5854","5857","10.1021/acs.orglett.5b03028","","","1.54178","CuKα","","0.0997","0.0583","","","0.12","0.1372","","","","","","1.018","","","","has coordinates","170831","2020-10-21","18:00:00",""
"1540536","6.359","0.002","22.998","0.005","32.023","0.007","90","","90.01","0.001","90","","4683","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C180 H252 N36 O60 -","12","6","","Zhang, Xiaofei; Yang, Haodong; Tang, Pingping","Transition-Metal-Free Oxidative Aliphatic C-H Azidation.","Organic letters","2015","17","23","5828","5831","10.1021/acs.orglett.5b03001","","","1.54187","CuKα","","0.0806","0.0682","","","0.1499","0.1575","","","","","","1.099","","","","has coordinates","170834","2020-10-21","18:00:00",""
"1540537","10.9076","0.0008","6.7702","0.0004","21.2437","0.0015","90","","103.38","0.002","90","","1526.19","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N2 O2 S -","- C15 H24 N2 O2 S -","- C60 H96 N8 O8 S4 -","4","1","","Kröger, Denis; Franz, Max; Schmidtmann, Marc; Martens, Jürgen","Sequential Multicomponent Reactions and a Cu-Mediated Rearrangement: Diastereoselective Synthesis of Tricyclic Ketones.","Organic letters","2015","17","23","5866","5869","10.1021/acs.orglett.5b03057","","","0.71073","MoKα","","0.0535","0.0367","","","0.0845","0.0924","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540559","6.8195","0.0012","8.3525","0.0014","20.053","0.003","90","","90","","90","","1142.2","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N -","- C15 H13 N -","- C60 H52 N4 -","4","1","","Kanchupalli, Vinaykumar; Joseph, Desna; Katukojvala, Sreenivas","Pyridazine N-Oxides as Precursors of Metallocarbenes: Rhodium-Catalyzed Transannulation with Pyrroles.","Organic letters","2015","17","23","5878","5881","10.1021/acs.orglett.5b03064","","","0.71073","MoKα","","0.0858","0.0449","","","0.1181","0.1538","","","","","","0.943","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540569","13.835","0.003","14.066","0.002","7.7299","0.0013","90","","97.446","0.008","90","","1491.6","0.5","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F3 N2 O3 -","- C17 H11 F3 N2 O3 -","- C68 H44 F12 N8 O12 -","4","1","","Fugard, Alison J.; Thompson, Bethany K.; Slawin, Alexandra M. Z.; Taylor, James E.; Smith, Andrew D.","Organocatalytic Synthesis of Fused Bicyclic 2,3-Dihydro-1,3,4-oxadiazoles through an Intramolecular Cascade Cyclization.","Organic letters","2015","17","23","5824","5827","10.1021/acs.orglett.5b02997","","","1.54187","CuKα","","","0.0359","","","","0.0993","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540574","12.134","0.0003","7.418","0.0002","26.1516","0.0007","90","","91.845","0.001","90","","2352.69","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","2","","Tomás-Mendivil, Eder; Starck, Jérôme; Ortuno, Jean-Claude; Michelet, Véronique","Synthesis of Functionalized 1H-Isochromene Derivatives via a Au-Catalyzed Domino Cycloisomerization/Reduction Approach.","Organic letters","2015","17","24","6126","6129","10.1021/acs.orglett.5b03146","","","1.54178","CuKα","","0.0629","0.0563","","","0.1508","0.1566","","","","","","1.085","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540580","26.2091","0.0005","26.2091","0.0005","6.7076","0.0005","90","","90","","120","","3990.3","0.3","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C34 H30 O2 -","- C34 H30 O2 -","- C204 H180 O12 -","6","1","","Kumar, Ravindra; Tokura, Hiromu; Nishimura, Akira; Mori, Tadashi; Hoshimoto, Yoichi; Ohashi, Masato; Ogoshi, Sensuke","Nickel(0)/N-Heterocyclic Carbene-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Two Enones and an Alkyne: Access to Cyclohexenes with Four Contiguous Stereogenic Centers.","Organic letters","2015","17","24","6018","6021","10.1021/acs.orglett.5b02983","","","1.54187","CuKα","","0.0568","0.0451","","","0.0852","0.0892","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540584","6.1386","0.0002","8.845","0.0003","20.0476","0.0007","100.943","0.003","95.193","0.003","92.11","0.003","1062.7","0.06","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N O7 -","- C21 H29 N O7 -","- C42 H58 N2 O14 -","2","1","","Cameron, Alex; Fisher, Brendan; Fisk, Nicholas; Hummel, Jessica; White, Jonathan M.; Krenske, Elizabeth H.; Rizzacasa, Mark A.","Towards the Synthesis of Dihydrooxepino[4,3-b]pyrrole-Containing Natural Products via Cope Rearrangement of Vinyl Pyrrole Epoxides.","Organic letters","2015","17","24","5998","6001","10.1021/acs.orglett.5b02965","","x-ray","1.54184","CuKα","","0.0408","0.0366","","","0.0952","0.0993","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540590","7.2431","0.0002","9.1369","0.0003","9.4709","0.0003","67.245","0.001","89.096","0.001","67.767","0.001","528.73","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H7 F O2 -","- C15 H7 F O2 -","- C30 H14 F2 O4 -","2","1","","Wu, Xunshen; Yang, Yang; Han, Jianwei; Wang, Limin","Palladium Catalyzed C-I and Vicinal C-H Dual Activation of Diaryliodonium Salts for Diarylation: Synthesis of 4,5-Benzocoumarins.","Organic letters","2015","17","22","5654","5657","10.1021/acs.orglett.5b02938","","","0.71073","MoKα","","0.0411","0.0366","","","0.1035","0.1091","","","","","","1.068","","","","has coordinates","170739","2020-10-21","18:00:00",""
"1540591","12.335","0.003","13.08","0.003","12.657","0.003","90","","102.79","0.03","90","","1991.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O2 -","- C23 H26 N O2 -","- C92 H104 N4 O8 -","4","1","","Wang, Xinbo; Pan, Yupeng; Huang, Kuo-Wei; Lai, Zhiping","One-Pot Synthesis of N-(α-Peroxy)Indole/Carbazole via Chemoselective Three-Component Condensation Reaction in Open Atmosphere.","Organic letters","2015","17","22","5630","5633","10.1021/acs.orglett.5b02881","","","0.71073","MoKα","","0.1484","0.1446","","","0.4974","0.5083","","","","","","2.694","","","","has coordinates","170740","2020-10-21","18:00:00",""
"1540592","11.418","0.006","10.794","0.006","17.585","0.01","90","","102.207","0.019","90","","2118","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C96 H96 O16 -","8","2","","Mao, Wenbin; Zhu, Chen","Synergistic Acid-Promoted Synthesis of Highly Substituted Butenolides via the Annulation of Keto Acids and Tertiary Alcohols.","Organic letters","2015","17","22","5710","5713","10.1021/acs.orglett.5b03026","","","0.71073","MoKα","","0.1199","0.0502","","","0.1259","0.1584","","","","","","0.971","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540593","14.2696","0.0019","14.853","0.002","14.948","0.003","67.375","0.018","72.768","0.015","89.623","0.012","2772.3","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 F3 N O4 S -","- C33 H24 F3 N O4 S -","- C132 H96 F12 N4 O16 S4 -","4","2","","Nayak, Sanatan; Ghosh, Nayan; Prabagar, B.; Sahoo, Akhila K.","p-TsOH Promoted Au(I)-Catalyzed Consecutive Endo Cyclization of Yne-Tethered Ynamide: Access to Benzofused Dihydroisoquinolones.","Organic letters","2015","17","22","5662","5665","10.1021/acs.orglett.5b02946","","","0.71073","MoKα","","0.29","0.0755","","","0.0821","0.1429","","","","","","0.896","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540594","11.3289","0.0006","14.3997","0.0007","19.8404","0.001","90","","90","","90","","3236.6","0.3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C168 H128 O32 -","8","1","","Zheng, Yang; Mao, Jincheng; Weng, Yuecheng; Zhang, Xiaolu; Xu, Xinfang","Cyclopentadiene Construction via Rh-Catalyzed Carbene/Alkyne Metathesis Terminated with Intramolecular Formal [3 + 2] Cycloaddition.","Organic letters","2015","17","22","5638","5641","10.1021/acs.orglett.5b02912","","","0.71073","MoKα","","0.0564","0.0395","","","0.0925","0.0994","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540595","8.1024","0.0011","11.3536","0.0015","14.828","0.002","90","","90","","90","","1364","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-4-(4-methoxyphenyl)-4-phenyl-1,2,3-oxathiazolidine 2,2-dioxide","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Kong, Jongrock; McLaughlin, Mark; Belyk, Kevin; Mondschein, Ryan","Enantioselective Rh(I)-Catalyzed Addition of Arylboronic Acids to Cyclic Ketimines.","Organic letters","2015","17","22","5520","5523","10.1021/acs.orglett.5b02032","","x-ray","1.54184","CuKα","","0.022","0.0218","","","0.0582","0.0588","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540596","8.1709","0.0002","8.6771","0.0002","25.4706","0.0006","90","","90","","90","","1805.86","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R,7S)-5-(3-Nitro-1-(3-bromophenyl)2-phenylpropyl)-2-furfural","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Skrzyńska, Anna; Przydacz, Artur; Albrecht, Łukasz","Organocatalytic Nonclassical Trienamine Activation in the Remote Alkylation of Furan Derivatives.","Organic letters","2015","17","22","5682","5685","10.1021/acs.orglett.5b02979","","","1.54178","CuKα","","0.0206","0.0201","","","0.0532","0.0536","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540597","10.3902","0.0005","11.1304","0.0004","17.5579","0.0007","90","","95.9749","0.0016","90","","2019.49","0.15","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl F3 N O3 S -","- C22 H15 Cl F3 N O3 S -","- C88 H60 Cl4 F12 N4 O12 S4 -","4","1","","Huang, Zhongyan; Wang, Chen; Tokunaga, Etsuko; Sumii, Yuji; Shibata, Norio","Stereoselective Synthesis of β-Lactam-triflones under Catalyst-Free Conditions.","Organic letters","2015","17","22","5610","5613","10.1021/acs.orglett.5b02827","","","0.71075","MoKα","","","0.0421","","","","0.1109","","","","","","1.217","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540598","10.2204","0.0005","10.3756","0.0007","18.4485","0.0012","95.235","0.005","105.12","0.005","108.782","0.005","1754.9","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N Si -","- C21 H21 N Si -","- C84 H84 N4 Si4 -","4","2","","Hao, Wei; Wang, Han; Ye, Qingyu; Zhang, Wen-Xiong; Xi, Zhenfeng","Cyclopentadiene-Phosphine/Palladium-Catalyzed Synthesis of Indolizines from Pyrrole and 1,4-Dibromo-1,3-butadienes.","Organic letters","2015","17","22","5674","5677","10.1021/acs.orglett.5b02959","","","0.71073","MoKα","","0.0984","0.0662","","","0.1487","0.1689","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540599","7.2793","0.0007","12.9826","0.0013","18.8537","0.0019","90","","90","","90","","1781.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C92 H68 N4 O12 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mohanta, Prakash Ranjan; Patel, Bhisma K.","Ruthenium(II) Catalyzed Regiospecific C-H/O-H Annulations of Directing Arenes via Weak Coordination.","Organic letters","2015","17","22","5678","5681","10.1021/acs.orglett.5b02967","","","0.71073","MoKα","","0.0674","0.0418","","","0.0816","0.0893","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540600","9.6188","0.0004","10.5071","0.0004","11.1216","0.0004","94.256","0.002","104.939","0.002","102.615","0.002","1049.6","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18 Cl N O -","- C29 H18 Cl N O -","- C58 H36 Cl2 N2 O2 -","2","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mohanta, Prakash Ranjan; Patel, Bhisma K.","Ruthenium(II) Catalyzed Regiospecific C-H/O-H Annulations of Directing Arenes via Weak Coordination.","Organic letters","2015","17","22","5678","5681","10.1021/acs.orglett.5b02967","","","0.71073","MoKα","","0.0454","0.0355","","","0.0998","0.111","","","","","","1.094","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540601","7.5747","0.0003","10.8659","0.0005","20.7341","0.0009","90","","90","","90","","1706.54","0.13","300","2","300","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Karmakar, Raju; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K.","Ni(II)-Catalyzed Highly Stereo- and Regioselective Syntheses of Isoindolinones and Isoquinolinones from in Situ Prepared Aldimines Triggered by Homoallylation/Lactamization Cascade.","Organic letters","2015","17","22","5650","5653","10.1021/acs.orglett.5b02932","","","0.71073","MoKα","","0.0734","0.0464","","","0.1273","0.1463","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540602","8.1069","0.0011","8.3799","0.0011","8.9188","0.0011","102.823","0.004","100.864","0.004","113.21","0.004","516.59","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C26 H24 O4 -","2","1","","Sekine, Kohei; Sadamitsu, Yuta; Yamada, Tohru","SilverCatalyzed Cascade Carboxylation and Cyclization of Trimethyl(2-methylenebut-3-yn-1-yl)silane Derivatives.","Organic letters","2015","17","22","5706","5709","10.1021/acs.orglett.5b03023","","","0.71073","(MoKα)","","0.0535","0.0411","","","0.1202","0.1439","","","","","","1.167","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540603","7.6982","0.0002","5.5273","0.0002","29.041","0.0008","90","","90","","90","","1235.7","0.06","147","2","147","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H12 B N3 O -","- C15 H12 B N3 O -","- C60 H48 B4 N12 O4 -","4","1","","Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K.","Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach.","Organic letters","2015","17","22","5594","5597","10.1021/acs.orglett.5b02741","","","1.54178","CuKα","","0.0399","0.0384","","","0.0961","0.0968","","","","","","1.196","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540604","10.6778","0.0003","8.9179","0.0002","27.039","0.0007","90","","90","","90","","2574.75","0.11","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 B N4 -","- C15 H13 B N4 -","- C120 H104 B8 N32 -","8","1","","Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K.","Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach.","Organic letters","2015","17","22","5594","5597","10.1021/acs.orglett.5b02741","","","1.54178","CuKα","","0.036","0.0319","","","0.0769","0.0794","","","","","","1.074","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540605","10.332","0.002","10.435","0.002","13.632","0.003","67.996","0.005","82.773","0.006","76.624","0.006","1324.5","0.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","10,11,12-Triphenyl-10H-phenanthro[9,10-f]phosphindole 10-oxide","","- C38 H25 O P -","- C38 H25 O P -","- C76 H50 O2 P2 -","2","1","","Wu, Bin; Chopra, Rena; Yoshikai, Naohiko","One-Pot Benzo[b]phosphole Synthesis through Sequential Alkyne Arylmagnesiation, Electrophilic Trapping, and Intramolecular Phospha-Friedel-Crafts Cyclization.","Organic letters","2015","17","22","5666","5669","10.1021/acs.orglett.5b02950","","","0.71073","MoKα","","0.1224","0.0585","","","0.1177","0.1468","","","","","","0.997","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540606","8.7469","0.0002","13.4624","0.0003","24.6866","0.0005","90","","90","","90","","2906.95","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O3 S2 -","- C12 H17 N O3 S2 -","- C96 H136 N8 O24 S16 -","8","2","","Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H.","Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters.","Organic letters","2015","17","22","5614","5617","10.1021/acs.orglett.5b02838","","","1.54178","CuKα","","0.0237","0.0231","","","0.0606","0.061","","","","","","1.08","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540607","5.9251","0.0001","14.3949","0.0003","17.8151","0.0004","90","","90","","90","","1519.47","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H.","Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters.","Organic letters","2015","17","22","5614","5617","10.1021/acs.orglett.5b02838","","","1.54178","CuKα","","0.0257","0.0253","","","0.0637","0.0641","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540608","9.9554","0.0003","13.0776","0.0004","14.9103","0.0004","75.045","0.001","78.893","0.001","69.659","0.001","1747.12","0.09","100","2","100","","","","","","","","","7","P 1","P 1","1","","","","- C32 H37 Br Cl N3 O6 S2 -","- C32 H37 Br Cl N3 O6 S2 -","- C64 H74 Br2 Cl2 N6 O12 S4 -","2","2","","Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H.","Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters.","Organic letters","2015","17","22","5614","5617","10.1021/acs.orglett.5b02838","","","1.54178","CuKα","","0.0409","0.0404","","","0.1053","0.1058","","","","","","1.052","","","","has coordinates,has disorder","301779","2025-08-18","16:06:43",""
"1540609","10.5944","0.0018","5.6765","0.001","27.958","0.005","90","","94.681","0.003","90","","1675.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C80 H80 N8 O4 S4 -","4","1","","Zhu, Longzhi; Qiu, Renhua; Cao, Xin; Xiao, Song; Xu, Xinhua; Au, Chak-Tong; Yin, Shuang-Feng","Copper-Mediated Remote C-H Bond Chalcogenation of Quinolines on the C5 Position.","Organic letters","2015","17","22","5528","5531","10.1021/acs.orglett.5b02511","","","0.71073","MoKα","","0.0953","0.0913","","","0.2157","0.2174","","","","","","1.179","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540610","7.7796","0.0013","34.171","0.006","8.2694","0.0014","90","","93.715","0.005","90","","2193.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 N2 O4 S -","- C22 H30 N2 O4 S -","- C88 H120 N8 O16 S4 -","4","1","","Shen, Mei-Hua; Xu, Ke; Sun, Chu-Han; Xua, Hua-Dong","Stereoselective Construction of Bridged trans-aza-Bicyclo[7/6,3/2,1]alkenyl Imines through Ring Expansion aza-Cope Rearrangement.","Organic letters","2015","17","22","5598","5601","10.1021/acs.orglett.5b02798","","","0.71073","MoKα","","0.2189","0.1536","","","0.2663","0.2998","","","","","","1.16","","","","has coordinates","170760","2020-10-21","18:00:00",""
"1540611","16.685","0.004","16.536","0.004","37.285","0.008","90","","90","","90","","10287","4","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C60 H56 Si4 -","- C60 H56 Si4 -","- C480 H448 Si32 -","8","1","","Fu, Xiangyu; Zhao, Dahui","Cyclo-oligomerization of 6,12-Diethynyl Indeno[1,2-b]fluorenes via Diradical Intermediates.","Organic letters","2015","17","22","5694","5697","10.1021/acs.orglett.5b03000","","","0.71073","MoKα","","0.0923","0.0829","","","0.1789","0.1845","","","","","","1.32","","","","has coordinates","170761","2020-10-21","18:00:00",""
"1540612","8.1446","0.0001","8.8894","0.0002","22.8882","0.0004","90","","97.4066","0.0012","90","","1643.29","0.05","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Mackay, Emily G.; Nörret, Marck; Wong, Leon S.-M.; Louis, Ignace; Lawrence, Andrew L.; Willis, Anthony C.; Sherburn, Michael S.","A Domino Diels-Alder Approach toward the Tetracyclic Nicandrenone Framework.","Organic letters","2015","17","22","5517","5519","10.1021/acs.orglett.5b02412","","","0.71073","MoKα","","0.067","0.0338","","0.1157","0.0805","0.1157","","","","","","0.997","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540613","14.271","0.002","7.3032","0.001","15.87","0.002","90","","97.862","0.007","90","","1638.5","0.4","200","","200","","","","","","","","local","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Mackay, Emily G.; Nörret, Marck; Wong, Leon S.-M.; Louis, Ignace; Lawrence, Andrew L.; Willis, Anthony C.; Sherburn, Michael S.","A Domino Diels-Alder Approach toward the Tetracyclic Nicandrenone Framework.","Organic letters","2015","17","22","5517","5519","10.1021/acs.orglett.5b02412","","","0.71073","MoKα","","0.1808","0.0751","","0.2255","0.1758","0.2255","","","","","","0.9869","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540614","6.8857","0.0011","7.8782","0.0012","14.23","0.002","73.669","0.005","85.904","0.005","80.621","0.005","730.62","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FW155","","","- C15 H14 N2 O7 -","- C15 H14 N2 O7 -","- C30 H28 N4 O14 -","2","1","","Wagner, Frederic; Harms, Klaus; Koert, Ulrich","Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes.","Organic letters","2015","17","22","5670","5673","10.1021/acs.orglett.5b02952","","","0.71073","MoKα","","0.0637","0.0397","","","0.0895","0.0987","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540615","6.4851","0.0006","8.2205","0.0008","12.0587","0.001","92.463","0.003","91.458","0.003","99.303","0.003","633.47","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O7 -","- C13 H10 N2 O7 -","- C26 H20 N4 O14 -","2","1","","Wagner, Frederic; Harms, Klaus; Koert, Ulrich","Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes.","Organic letters","2015","17","22","5670","5673","10.1021/acs.orglett.5b02952","","","0.71073","MoKα","","0.0395","0.0328","","","0.087","0.0914","","","","","","1.076","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540616","7.9292","0.0004","8.4053","0.0004","10.7094","0.0005","93.039","0.002","104.73","0.002","106.745","0.002","654.85","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","FWHA041b","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Wagner, Frederic; Harms, Klaus; Koert, Ulrich","Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes.","Organic letters","2015","17","22","5670","5673","10.1021/acs.orglett.5b02952","","","0.71073","MoKα","","0.0442","0.0353","","","0.0954","0.1016","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540617","14.188","0.0006","5.8892","0.0003","15.3276","0.0006","90","","103.795","0.002","90","","1243.77","0.1","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C30 H26 O3 S -","- C30 H26 O3 S -","- C60 H52 O6 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.","Organic letters","2015","17","22","5702","5705","10.1021/acs.orglett.5b03020","","","0.71073","MoKα","","0.0509","0.0369","","","0.102","0.1294","","","","","","1.158","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540618","7.1637","0.0004","11.4472","0.0005","11.9023","0.0005","79.27","0.002","77.811","0.002","87.147","0.002","937.3","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C48 H40 O4 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.","Organic letters","2015","17","22","5702","5705","10.1021/acs.orglett.5b03020","","","0.71073","MoKα","","0.057","0.0393","","","0.1184","0.1402","","","","","","1.147","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540619","15.3544","0.0007","5.9154","0.0003","21.8657","0.0011","90","","90.554","0.002","90","","1985.91","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F O3 S -","- C24 H21 F O3 S -","- C96 H84 F4 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.","Organic letters","2015","17","22","5702","5705","10.1021/acs.orglett.5b03020","","","0.71073","MoKα","","0.0537","0.0371","","","0.1035","0.1264","","","","","","1.152","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540620","16.1272","0.0015","8.2497","0.0008","17.782","0.0016","90","","90","","90","","2365.8","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H26 O3 S -","- C30 H26 O3 S -","- C120 H104 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones.","Organic letters","2015","17","22","5702","5705","10.1021/acs.orglett.5b03020","","","0.71073","MoKα","","0.0475","0.0371","","","0.0808","0.0863","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540621","14.7522","0.0008","13.9738","0.0008","6.7673","0.0004","90","","100.152","0.004","90","","1373.2","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br N4 O -","- C14 H11 Br N4 O -","- C56 H44 Br4 N16 O4 -","4","1","","Rajamanickam, Suresh; Majji, Ganesh; Santra, Sourav Kumar; Patel, Bhisma K.","Bu4NI Catalyzed C-N Bond Formation via Cross-Dehydrogenative Coupling of Aryl Ethers (Csp3-H) and Tetrazoles (N-H).","Organic letters","2015","17","22","5586","5589","10.1021/acs.orglett.5b02749","","","0.71073","MoKα","","0.0678","0.0341","","","0.0841","0.1042","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540622","19.9301","0.0018","11.6169","0.001","12.0116","0.0011","90","","106.035","0.002","90","","2672.8","0.4","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H20 Cl F3 N2 O3 -","- C27 H20 Cl F3 N2 O3 -","- C108 H80 Cl4 F12 N8 O12 -","4","1","","Zhou, Ding; Huang, Zheng; Yu, Xueting; Wang, Youxin; Li, Jian; Wang, Wei; Xie, Hexin","A Quinine-Squaramide Catalyzed Enantioselective Aza-Friedel-Crafts Reaction of Cyclic Trifluoromethyl Ketimines with Naphthols and Electron-Rich Phenols.","Organic letters","2015","17","22","5554","5557","10.1021/acs.orglett.5b02668","","","0.71073","MoKα","","0.051","0.0413","","","0.099","0.1038","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540623","17.598","0.006","6.875","0.002","10.631","0.004","90","","90","","90","","1286.2","0.8","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","t-butyl pyridine indenone","1-(t-butyl)-3-methyl-9H-indeno[2,1-c]pyridin-9-one","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","0.5","","Das, Sajal; Hong, Dongsub; Chen, Zhiwei; She, Zhigang; Hersh, William H.; Subramaniam, Gopal; Chen, Yu","Auto-Tandem Palladium Catalysis: From Isoxazole to 2-Azafluorenone.","Organic letters","2015","17","22","5578","5581","10.1021/acs.orglett.5b02731","","","0.71073","MoKα","","0.0401","0.039","","","0.1077","0.1094","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540624","9.5944","0.0018","19.75","0.004","7.917","0.0015","90","","90.554","0.002","90","","1500.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","o-(t-Bu isoxazole) MVK benzene","(E)-4-(2-(3-(tert-butyl)isoxazol-5-yl)phenyl)but-3-en-2-one","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","","Das, Sajal; Hong, Dongsub; Chen, Zhiwei; She, Zhigang; Hersh, William H.; Subramaniam, Gopal; Chen, Yu","Auto-Tandem Palladium Catalysis: From Isoxazole to 2-Azafluorenone.","Organic letters","2015","17","22","5578","5581","10.1021/acs.orglett.5b02731","","","0.71073","MoKα","","0.0463","0.0378","","","0.0897","0.0957","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540625","11.521","0.0004","11.9824","0.0004","20.383","0.0006","90","","98.02","0.003","90","","2786.34","0.16","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 O5 P W -","- C32 H21 O5 P W -","- C128 H84 O20 P4 W4 -","4","1","","Zhou, Yang; Gan, Zhenjie; Su, Bo; Li, Jun; Duan, Zheng; Mathey, François","Intramolecular, Pd/Cu-Co-catalyzed P-C Bond Cleavage and Addition onto an Alkyne: A Route to Benzophospholes.","Organic letters","2015","17","22","5722","5724","10.1021/acs.orglett.5b02926","","","0.71073","MoKα","","0.046","0.0318","","","0.0562","0.061","","","","","","1.038","","","","has coordinates","170773","2020-10-21","18:00:00",""
"1540649","7.687","0.0012","5.6405","0.0009","26.624","0.004","90","","97.533","0.002","90","","1144.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br N2 S -","- C10 H10 Br N3 S -","- C40 H40 Br4 N12 S4 -","4","1","","Shen, Tao; Huang, Xiaoqiang; Liang, Yu-Feng; Jiao, Ning","Cu-Catalyzed Transformation of Alkynes and Alkenes with Azide and Dimethyl Sulfoxide Reagents.","Organic letters","2015","17","24","6186","6189","10.1021/acs.orglett.5b03179","","","0.71073","MoKα","","0.0435","0.0312","","","0.0719","0.0768","","","","","","1.043","","","","has coordinates","173607","2020-10-21","18:00:00",""
"1540757","3.98","","4.01","","4.02","","90","","90","","90","","64.158","","","","","","","","","","","","","3","P 2 m m","P -2 2","25","Barium titanate","Ba (Ti O3)","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.25","","Zeng, L.; Jiang, Y.","X-ray diffraction study of orthorhombic barium titanate","Beijing Gongye Daxue Xuebao","1991","17","","32","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:09",""
"1541013","10.82","","3.788","","10.758","","90","","90","","90","","440.929","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Bi2 (Ge O5)","","- Bi2 Ge O5 -","- Bi2 Ge O5 -","- Bi8 Ge4 O20 -","4","0.5","","Sussieck-Fornefeld, C.","Kristallchemie der Hexaoxogermanate","Heidelberger geowissenschaftliche Abhandlungen","1988","17","","139","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541077","7.766","","8.853","","14.831","","90","","96.36","","90","","1013.39","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","K Yb (P O3)4","","- K O12 P4 Yb -","- K O12 P4 Yb -","- K4 O48 P16 Yb4 -","4","1","","Palkina, K.K.; Chudinova, N.N.; Maksimova, S.I.; Vinogradova, N.V.; Chibiskova, N.T.","The structure of crystals of potassium ytterbium polyphosphate K Yb (P O3)4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1981","17","","110","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541078","7.868","","12.735","","10.589","","90","","111.25","","90","","988.867","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rb Sm (P O3)4","","- O12 P4 Rb Sm -","- O12 P4 Rb Sm -","- O48 P16 Rb4 Sm4 -","4","0.5","","Palkina, K.K.; Maksimova, S.I.; Chibiskova, N.T.","The crystal structure of beta' - Rb Sm (P O3)4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1981","17","","1248","1252","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541197","10.448","","9.039","","11.233","","90","","106.43","","90","","1017.52","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs Nd (P O3)4","","- Cs Nd O12 P4 -","- Cs Nd O12 P4 -","- Cs4 Nd4 O48 P16 -","4","1","","Maksimova, S.I.; Loshchenov, V.B.; Palkina, K.K.","Structure and luminescence properties of alpha' Cs Nd (P O3)4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1981","17","","116","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541318","3.835","","20.72","","28.9","","90","","90","","90","","2296.43","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Nb12 O29 -","- Nb12 O29 -","- Nb48 O116 -","4","0.25","","Norin, R.","The crystal structure of Nb12 O29 (orh)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1963","17","","1391","1404","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541390","10.13","","10.13","","10.13","","90","","90","","90","","1039.51","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Ca2 N H","","- Ca2 H N -","- Ca2 H N -","- Ca32 H16 N16 -","16","0.0833333","","Brice, J.F.; Motte, J.P.; Courtois, A.; Protas, J.; Aubry, J.","Etude structurale de Ca2 N H par diffraction des rayons X, diffraction des neutrons et resonance magnetique nucleaire du proton dans le solide","Journal of Solid State Chemistry","1976","17","","135","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541392","4.69639","","4.69639","","4.69639","","90","","90","","90","","103.584","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cd.955 In.03 O","","- Cd0.955 In0.03 O -","- Cd0.955 In0.03 O -","- Cd3.82 In0.12 O4 -","4","0.0208333","","Cimino, A.; Marezio, M.","Lattice Parameter and Defect Structure of Cadmium Oxide Containing Foreign Atoms","Journal of Physics and Chemistry of Solids","1960","17","","57","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541437","8.34","","8.34","","8.34","","90","","90","","90","","580.094","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg.3125 Mn2.0625 Al.625 O4","","- Al0.625 Mg0.3125 Mn2.0625 O4 -","- Al0.625 Mg0.312 Mn2.063 O4 -","- Al5 Mg2.496 Mn16.504 O32 -","8","0.0416667","","Irani, K.S.; Sinha, A.P.B.; Biswas, A.B.","Crystal Distortion in Spinels Containing Mn3+ Ions","Journal of Physics and Chemistry of Solids","1960","17","","101","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541439","8.32","","8.32","","8.32","","90","","90","","90","","575.93","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Mn1.75 Al.25 O4","","- Al0.25 Mg Mn1.75 O4 -","- Al0.25 Mg0.999 Mn1.751 O4 -","- Al2 Mg7.992 Mn14.008 O32 -","8","0.0416667","","Irani, K.S.; Sinha, A.P.B.; Biswas, A.B.","Crystal Distortion in Spinels Containing Mn3+ Ions","Journal of Physics and Chemistry of Solids","1960","17","","101","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541546","11.611","","11.611","","11.611","","90","","90","","90","","1565.34","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K Tb3 F10","","- F10 K Tb3 -","- F10 K Tb3 -","- F80 K8 Tb24 -","8","0.0416667","","Podberezskaya, N.V.; Potapova, O.G.; Borisov, S.V.; Gatilov, Yu.V.","Crystal structure of K Tb3 F10 - cubic packing of the polyanion (Tb6 F32)(14-)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","948","950","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541639","8.064","","8.064","","8.064","","90","","90","","90","","524.387","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 Ni (W O6)","","- Ba2 Ni O6 W -","- Ba2 Ni O6 W -","- Ba8 Ni4 O24 W4 -","4","0.0208333","","Nomura, S.; Kawakubo, T.","Phase transition in Sr (Ni W).5 O3 - Ba (Ni W).5 O3 system","Journal of the Physical Society of Japan","1962","17","","1771","1776","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541735","5.605","","5.605","","22.7219","","90","","90","","120","","618.196","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","K2.7 Al21.7 Co0.2 O33.8","","- Al21.7 Co0.2 K2.7 O33.8 -","- Al21.7 Co0.2 K2.676 O33.8 -","- Al21.7 Co0.2 K2.676 O33.8 -","1","0.0416667","","Dernier, P.D.; Remeika, J.P.","Structural determinations of single-crystal k beta-alumina and cobalt-doped k beta-alumina","Journal of Solid State Chemistry","1976","17","","245","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","173192","2020-10-21","18:00:00",""
"1541767","5.67","","5.67","","9.15","","90","","90","","90","","294.162","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","Mg.125 Mn2.625 Al.25 O4","","- Al0.25 Mg0.125 Mn2.625 O4 -","- Al0.25 Mg0.125 Mn2.625 O4 -","- Al Mg0.5 Mn10.5 O16 -","4","0.125","","Irani, K.S.; Sinha, A.P.B.; Biswas, A.B.","Crystal Distortion in Spinels Containing Mn3+ Ions","Journal of Physics and Chemistry of Solids","1960","17","","101","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541769","5.71","","5.71","","9","","90","","90","","90","","293.437","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","Mg.2125 Mn2.3625 Al.425 O4","","- Al0.425 Mg0.2126 Mn2.2826 O4 -","- Al0.425 Mg0.2126 Mn2.2826 O4 -","- Al1.7 Mg0.8504 Mn9.1304 O16 -","4","0.125","","Irani, K.S.; Sinha, A.P.B.; Biswas, A.B.","Crystal Distortion in Spinels Containing Mn3+ Ions","Journal of Physics and Chemistry of Solids","1960","17","","101","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541771","5.73","","5.73","","8.94","","90","","90","","90","","293.526","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","Mg Mn1.875 Al.125 O4","","- Al0.125 Mg Mn1.875 O4 -","- Al0.068 Mg1.056 Mn1.876 O4 -","- Al0.272 Mg4.224 Mn7.504 O16 -","4","0.125","","Irani, K.S.; Sinha, A.P.B.; Biswas, A.B.","Crystal Distortion in Spinels Containing Mn3+ Ions","Journal of Physics and Chemistry of Solids","1960","17","","101","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541823","7.656","","7.656","","7.656","","90","","90","","90","","448.751","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na0.54 (W O3)","","- Na0.54 O3 W -","- Na0.54 O3 W -","- Na4.32 O24 W8 -","8","0.166667","","Wiseman, P.J.; Dickens, P.","Neutron diffraction studies of cubic tungsten bronzes","Journal of Solid State Chemistry","1976","17","","91","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541824","7.446","","7.446","","7.446","","90","","90","","90","","412.828","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Li0.36 (W O3)","","- Li0.36 O3 W -","- Li0.36 O3 W -","- Li2.88 O24 W8 -","8","0.166667","","Wiseman, P.J.; Dickens, P.","Neutron diffraction studies of cubic tungsten bronzes","Journal of Solid State Chemistry","1976","17","","91","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541834","5.591","","5.591","","22.711","","90","","90","","120","","614.817","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K2.6 Al21.83 O33.9","","- Al21.83 K2.6 O33.9 -","- Al21.832 K2.64 O33.908 -","- Al21.832 K2.64 O33.908 -","1","0.0416667","","Dernier, P.D.; Remeika, J.P.","Structural determinations of single-crystal K beta-alumina and cobalt-doped K beta-alumina","Journal of Solid State Chemistry","1976","17","","245","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","173364","2020-10-21","18:00:00",""
"1541858","7.5073","","15.3692","","7.5073","","90","","90","","90","","866.201","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Cd (N O3)2","","- Cd N2 O6 -","- Cd N2 O6 -","- Cd8 N16 O48 -","8","2","","Louer, M.; Louer, D.; Grandjean, D.","Structure cristalline et polymorphisme du nitrate de cadmium anhydre","Journal of Solid State Chemistry","1976","17","","231","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541867","12.72","","8.15","","10.17","","90","","104.2","","90","","1022.09","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Zn2 (As O4) (O H) (H2 O)","","- As H3 O6 Zn2 -","- As O6 Zn2 -","- As8 O48 Zn16 -","8","2","","Pushcharovskii, D.Yu.; Pobedimskaya, E.A.; Belov, N.V.","Two structural interpretations for legrandite Zn2 As O4 O H H2 O","Kristallografiya","1972","17","","855","856","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541868","20.453","","11.844","","5.221","","90","","90","","90","","1264.76","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Na2 Zn2 Ti Ge O7","","- Ge Na2 O7 Ti Zn2 -","- Ge Na2 O7 Ti Zn2 -","- Ge8 Na16 O56 Ti8 Zn16 -","8","1","","Sandomirskii, P.A.; Evstigneyeva, T.; Simonov, M.A.; Belov, N.V.","Crystal structure of Na2 Ti Zn2 Ge O4 O3","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","1080","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541970","7.629","","16.886","","6.76","","90","","90","","90","","870.845","","","","","","","","","","","","","6","P m n b","-P 2bc 2a","62","","(Co (N H3)4 C O3) Br","","- C H12 Br Co N4 O3 -","- C H12 Br Co N4 O3 -","- C4 H48 Br4 Co4 N16 O12 -","4","0.5","","Haagensen, C.O.; Rasmussen, S.E.","Accuracy of a Crystal Structure Determination. The Structure of Carbonato-Tetraammine-Cobalt(III) Bromide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1963","17","","1630","1634","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1542055","11.02","","19.74","","6.08","","90","","90","","90","","1322.61","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Ca2 (H2 Si2 O7) (H2 O)","","- Ca2 H4 O8 Si2 -","- Ca2 O8 Si2 -","- Ca16 O64 Si16 -","8","0.5","","Tseng, J.K.; Hsueh, C.Y.; Peng, C.C.","The crystal structure of suolunite","Kexue Tongbao (= Bulletin der Wissenschaften)","1966","17","","45","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542159","12.993","","12.993","","4.958","","90","","90","","120","","724.863","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Ni3 (O H)2 (Te O3)2","","- H2 Ni3 O8 Te2 -","- Ni3 O8 Te2 -","- Ni12 O32 Te8 -","4","0.333333","","Perez, G.; Lasserre, F.; Moret, J.; Maurin, M.","Structure cristalline des hydroxytellurites de nickel et de cobalt","Journal of Solid State Chemistry","1976","17","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","174182","2020-10-21","18:00:00",""
"1542160","13.034","","13.034","","5.016","","90","","90","","120","","737.978","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Co3 (O H)2 (Te O3)2","","- Co3 H2 O8 Te2 -","- Co3 O8 Te2 -","- Co12 O32 Te8 -","4","0.333333","","Perez, G.; Lasserre, F.; Maurin, M.; Moret, J.","Structure cristalline des hydrxytellurites de nickel et de cobalt","Journal of Solid State Chemistry","1976","17","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542178","13.43","","9.802","","6.895","","90","","90","","90","","907.664","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 (Mo O Cl5)","","- Cl5 K2 Mo O -","- Cl5 K2 Mo O -","- Cl20 K8 Mo4 O4 -","4","0.5","","Tkachev, V.V.; Krasochka, O.N.; Atovmyan, L.O.","On the Structure of the Crystals K (Os N Br4 H2 O) H2 O and K2 Mo O Cl5","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","940","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542179","9.558","","13.62","","7.518","","90","","90","","90","","978.693","","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","K Os H2 O N Br4 H2 O","","- Br4 H4 K N O2 Os -","- Br4 H4 K N O2 Os -","- Br16 H16 K4 N4 O8 Os4 -","4","0.5","","Tkachev, V.V.; Krasochka, O.N.; Atovmyan, L.O.","On the Structure of the Crystals K (Os N Br4 H2 O) H2 O and K2 Mo O Cl5","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","940","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","189099","2020-10-21","18:00:00",""
"1542188","3.383","","3.383","","3.383","","90","","90","","90","","38.717","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","La0.14 (W O3)","","- La0.14 O3 W -","- La0.14 O3 W -","- La0.14 O3 W -","1","0.0208333","","Wiseman, P.J.; Dickens, P.","Neutron diffraction studies of cubic tungsten bronzes","Journal of Solid State Chemistry","1976","17","","91","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1543845","21.859","0.004","10.0395","0.0018","20.683","0.004","90","","114.307","0.002","90","","4136.6","1.3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H116 Mo8 N8 O26 -","- C60 H116 Mo8 N8 O26 -","- C120 H232 Mo16 N16 O52 -","2","0.5","","Kobayashi, Jun; Kawahara, Ryosuke; Uchida, Sayaka; Koguchi, Shinichi; Ito, Takeru","Conductive Hybrid Crystal Composed from Polyoxomolybdate and Deprotonatable Ionic-Liquid Surfactant.","International journal of molecular sciences","2016","17","7","994","","10.3390/ijms17070994","","","0.71075","MoKα","","0.0579","0.0422","","","0.1063","0.1292","","","","","","1.203","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544668","8.099","0.001","8.325","0.001","5.966","0.001","90","","90","","90","","402.25","0.1","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","Zn2(OH)PO4","","Zn2(OH)PO4","- H O5 P Zn2 -","- H O5 P Zn2 -","- H4 O20 P4 Zn8 -","4","1","","Kawahara, A.; Moritani, H.; Yamakawa, J.","LiNbO3, with anharmonic thermal vibration model","Mineralogical Journal","1994","17","","132","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","188685","2020-10-21","18:00:00",""
"1545319","5.96976","0.00019","5.96976","0.00019","5.96976","0.00019","90","","90","","90","","212.751","0.012","300.3","0.4","300","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H5 Br3 N2 Pb -","- C0.9984 H3.9936 Br3 N1.9968 Pb -","- C0.9984 H3.9936 Br3 N1.9968 Pb -","1","0.0208333","","Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier","Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites.","Nano letters","2017","17","3","1727","1732","10.1021/acs.nanolett.6b05022","","x-ray","0.71073","MoKα","","0.0266","0.0213","","","0.0461","0.0537","","","","","","1.265","","","","has coordinates,has disorder","194863","2020-10-21","18:00:00",""
"1545320","5.9195","0.0001","5.9195","0.0001","5.9195","0.0001","90","","90","","90","","207.422","0.006","293.92","0.1","294","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 Br3 N Pb -","- C0.9984 H5.9904 Br3 N0.9984 Pb -","- C0.9984 H5.9904 Br3 N0.9984 Pb -","1","0.0208333","","Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier","Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites.","Nano letters","2017","17","3","1727","1732","10.1021/acs.nanolett.6b05022","","x-ray","0.71073","MoKα","","0.029","0.0286","","","0.0669","0.0669","","","","","","1.22","","","","has coordinates,has disorder","194863","2020-10-21","18:00:00",""
"1548394","27.72","","27.72","","39.4","","90","","90","","120","","26218.8","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Bi9 Mn5.571 O20.143 -","- Bi441 Mn273 O987 -","- Bi441 Mn273 O987 -","1","1","","Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan","Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities.","Nano letters","2017","17","11","6575","6582","10.1021/acs.nanolett.7b02284","","","","","","","","","","","","","","","","","","","","","has coordinates","203972","2020-10-21","18:00:00",""
"1548395","27.72","","27.72","","78.8","","90","","90","","120","","52437.7","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Bi9 Mn5.571 O20.143 -","- Bi441 Mn273 O987 -","- Bi882 Mn546 O1974 -","2","2","","Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan","Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities.","Nano letters","2017","17","11","6575","6582","10.1021/acs.nanolett.7b02284","","","","","","","","","","","","","","","","","","","","","has coordinates","203973","2020-10-21","18:00:00",""
"1548411","9.9279","0.0004","10.1181","0.0004","11.2898","0.0004","69.506","0.002","73.657","0.002","68.894","0.002","975.26","0.07","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 B F2 N3 O3 -","- C20 H22 B F2 N3 O3 -","- C40 H44 B2 F4 N6 O6 -","2","1","","Greening, Sarah M.; Robertson, Katherine N.; Thompson, Alison","Synthesis and characterization of pyrrolyldipyrrin F-BODIPYs.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","1","89","98","10.1039/c7pp00341b","","","0.71073","MoKα","","0.0679","0.0412","","","0.0931","0.1039","","","","","","1.048","","","","has coordinates","230887","2020-10-21","18:00:00",""
"1548691","23.7684","0.0015","27.1189","0.0015","19.3749","0.0019","90","","124.292","0.003","90","","10317.7","1.4","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50.02 H45.02 Cl3.06 Cu N7 O6 -","- C49 H44 Cu N7 O6 -","- C392 H352 Cu8 N56 O48 -","8","1","","Manuela Stefanelli; Sara Nardis; Frank R. Fronczek; Kevin M. Smith; Roberto Paolesse","Copper beta-trinitrocorrolates","Journal of Porphyrins and Phthalocyanines","2013","17","","440","","10.1142/S1088424613500120","","","1.54178","CuKα","","0.178","0.09","","","0.2233","0.2524","","","","","","0.884","","","","has coordinates","205247","2020-10-21","18:00:00",""
"1548713","10.2565","0.0004","10.9066","0.0009","12.5276","0.0013","111.095","0.012","96.075","0.008","105.626","0.007","1226.7","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl Fe N4 O4 -","- C28 H28 Cl Fe N4 O4 -","- C56 H56 Cl2 Fe2 N8 O8 -","2","1","","Ming Li; Allen G. Oliver; Teresa J. Neal; Charles E. Schulz; W. Robert Scheidt","Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr)","Journal of Porphyrins and Phthalocyanines","2013","17","","118","124","10.1142/S1088424612501362","","","0.71073","MoKα","","0.0528","0.0471","","","0.1239","0.128","","","","","","1.028","","","","has coordinates","205355","2020-10-21","18:00:00",""
"1548714","10.8344","0.001","11.889","0.002","12.0571","0.0009","88.145","0.011","80.165","0.011","72.371","0.01","1458.1","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cl Fe N4 O4 -","- C32 H36 Cl Fe N4 O4 -","- C64 H72 Cl2 Fe2 N8 O8 -","2","1","","Ming Li; Allen G. Oliver; Teresa J. Neal; Charles E. Schulz; W. Robert Scheidt","Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr)","Journal of Porphyrins and Phthalocyanines","2013","17","","118","124","10.1142/S1088424612501362","","","0.71073","MoKα","","0.073","0.0588","","","0.136","0.1452","","","","","","1.033","","","","has coordinates,has disorder","205356","2020-10-21","18:00:00",""
"1548715","23.085","0.002","18.8929","0.0005","9.484","0.0004","90","","90","","90","","4136.4","0.4","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H60 Cl Fe N4 O7 -","- C44 H60 Cl Fe N4 O7 -","- C176 H240 Cl4 Fe4 N16 O28 -","4","1","","Ming Li; Allen G. Oliver; Teresa J. Neal; Charles E. Schulz; W. Robert Scheidt","Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr)","Journal of Porphyrins and Phthalocyanines","2013","17","","118","124","10.1142/S1088424612501362","","","0.71073","MoKα","","0.1063","0.0873","","","0.2151","0.232","","","","","","1.045","","","","has coordinates,has disorder","205357","2020-10-21","18:00:00",""
"1548955","12.2247","0.001","15.0283","0.0012","22.5879","0.0019","90","","98.452","0.003","90","","4104.7","0.6","123","","123","","","","","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C164 H224 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","","1.54178","CuKα","","0.0334","0.0331","","0.0345","0.0337","0.0336","","","","","","1.0796","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548956","12.3873","0.0009","12.5363","0.0009","15.3282","0.0012","104.142","0.003","109.108","0.002","103.339","0.002","2051.8","0.3","123","","123","","","","","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C41 H56 Ag F6 N2 O P3 -","- C41 H56 Ag F6 N2 O P3 -","- C82 H112 Ag2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","","1.54178","CuKα","","0.0387","0.0383","","0.0779","0.0779","0.0779","","","","","","0.8973","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1548957","10.6543","0.0008","11.1834","0.0014","15.7615","0.0011","90","","90","","90","","1878","0.3","123","","123","","","","","","","","Sarah Keller","6","I 2 m m","I -2 2","44","","","","- C31 H52 Cu F6 O3 P3 -","- C31 H52 Cu F6 O3 P3 -","- C62 H104 Cu2 F12 O6 P6 -","2","0.25","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","","1.54178","CuKα","","0.1505","0.1497","","0.1639","0.1635","0.1635","","","","","","1.1082","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548958","11.9737","0.0011","12.2317","0.0013","14.4143","0.0006","103.77","0.006","108.026","0.006","104.548","0.008","1825.2","0.3","293","","293","","","","1700000","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C41 H56 Ag F6 N2 O P3 -","- C41 H56 Ag F6 N2 O P3 -","- C82 H112 Ag2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.0735","0.0588","","0.1069","0.0993","0.1069","","","","","","0.9565","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548959","11.962","0.009","14.7798","0.0009","22.07","0.002","90","","98.83","0.02","90","","3856","3","293","","293","","","","700000","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C164 H224 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1084","0.0784","","0.1138","0.0984","0.1136","","","","","","1.178","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548960","11.704","0.002","12.033","0.002","14.1045","0.0016","103.362","0.015","108.356","0.015","104.447","0.015","1719","0.6","293","","293","","","","4500000","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C41 H56 Ag F6 N2 O P3 -","- C41 H56 Ag F6 N2 O P3 -","- C82 H112 Ag2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.2119","0.1416","","0.2295","0.197","0.2242","","","","","","1.1534","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548961","11.8753","0.0014","12.1267","0.0016","14.271","0.0009","103.601","0.009","108.062","0.008","104.62","0.011","1777.5","0.4","293","","293","","","","2500000","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C41 H56 Ag F6 N2 O P3 -","- C41 H56 Ag F6 N2 O P3 -","- C82 H112 Ag2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1618","0.1179","","0.1261","0.1183","0.1261","","","","","","1.1705","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548962","11.787","0.008","14.4808","0.0008","21.5025","0.0019","90","","99.22","0.02","90","","3623","2","293","","293","","","","2300000","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C164 H224 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.2275","0.1716","","0.4318","0.3978","0.4318","","","","","","1.1047","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548963","11.892","0.008","14.682","0.0008","21.9164","0.0018","90","","98.94","0.02","90","","3780","3","293","","293","","","","1200000","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C164 H224 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1145","0.0834","","0.1294","0.1126","0.1294","","","","","","1.1536","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548964","11.7672","0.0015","12.0577","0.0015","14.1541","0.0012","103.49","0.011","108.215","0.01","104.502","0.011","1737.6","0.4","293","","293","","","","4000000","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C41 H56 Ag F6 N2 O P3 -","- C41 H56 Ag F6 N2 O P3 -","- C82 H112 Ag2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1922","0.147","","0.238","0.2236","0.238","","","","","","0.9858","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548965","23.191","0.018","14.335","0.0009","21.247","0.002","90","","99.44","0.03","90","","6968","5","293","","293","","","","3300000","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C328 H448 Cu8 F48 N16 O8 P24 -","8","2","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1883","0.1272","","0.1429","0.1311","0.1429","","","","","","1.1462","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548966","12.187","0.008","15.0361","0.001","22.427","0.002","90","","98.56","0.02","90","","4064","3","293","","293","","","","300000","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C164 H224 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1147","0.0764","","0.1213","0.1022","0.1213","","","","","","1.1074","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549024","9.904","0.0003","9.9455","0.0004","11.4559","0.0005","107.381","0.002","98.533","0.002","111.288","0.002","960.64","0.07","183","","183","2","","","","","","","Local laboratory","4","P -1","-P 1","2","","3-(N'-phenyl)piperazino-7H-benzo[de]anthracen-7-one","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C54 H44 N4 O2 -","2","1","","Shivraj, ?; Siddlingeshwar, B.; Kirilova, Elena M.; Belyakov, Sergey V.; Divakar, Darshan Devang; Alkheraif, Abdulaziz Abdullah","Photophysical properties of benzanthrone derivatives: effect of substituent, solvent polarity and hydrogen bonding.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","453","464","10.1039/C7PP00392G","","","0.71073","MoKα","","0.109","0.068","","0.291","0.283","0.283","","","1.126","1.199","1.199","1.192","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549025","10.3648","0.0015","11.5481","0.0017","12.5472","0.0019","81.87","0.005","77.716","0.005","87.248","0.005","1452.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 N4 O3 -","- C32 H40 N4 O3 -","- C64 H80 N8 O6 -","2","1","","Molla, Habib Ali; Bhowmick, Rahul; Islam, Abu Saleh Musha; Show, Bibhutibhushan; Mukherjee, Nillohit; Mondal, Anup; Ali, Mahammad","A turn-on fluorogenic chemosensor for Fe<sup>3+</sup> and a Schottky barrier diode with frequency-switching device applications.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","465","473","10.1039/C7PP00322F","","","0.71073","MoKα","","0.1314","0.0657","","","0.2057","0.2819","","","","","","0.995","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549064","19.675","0.011","16.984","0.01","8.859","0.005","90","","95.45","0.009","90","","2947","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 N4 O2 -","- C35 H35 N4 O2 -","- C140 H140 N16 O8 -","4","1","","Andrews, M. Crawford; Peng, Ping; Rajput, Amit; Cozzolino, Anthony F.","Modulation of the carboxamidine redox potential through photoinduced spiropyran or fulgimide isomerisation.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","432","441","10.1039/c7pp00347a","","","0.71073","MoKα","","0.2281","0.1172","","","0.2797","0.3399","","","","","","0.973","","","","has coordinates","230891","2020-10-21","18:00:00",""
"1549092","10.0007","0.001","10.5374","0.0011","12.7404","0.0013","102.821","0.004","90.215","0.004","102.549","0.004","1275.9","0.2","100","","100.06","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N2 O4 S -","- C28 H34 N2 O3.995 S -","- C56 H68 N4 O7.99 S2 -","2","1","","Al Mousawi, Assi; Arar, Ahmad; Ibrahim-Ouali, Malika; Duval, Sylvain; Dumur, Frédéric; Garra, Patxi; Toufaily, Joumana; Hamieh, Tayssir; Graff, Bernadette; Gigmes, Didier; Fouassier, Jean-Pierre; Lalevée, Jacques","Carbazole-based compounds as photoinitiators for free radical and cationic polymerization upon near visible light illumination.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","578","585","10.1039/c7pp00400a","","","0.71073","MoKα","","0.0687","0.0519","","","0.1223","0.1328","","","","","","1.041","","","","has coordinates,has disorder","230890","2020-10-21","18:00:00",""
"1549321","7.4655","0.0015","10.993","0.002","11.026","0.002","111.9","0.03","95.16","0.03","108.53","0.03","773.4","0.4","295","2","295","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C36 H26 Cl2 N2 O8 -","- C36 H26 Cl2 N2 O8 -","- C36 H26 Cl2 N2 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.1342","0.0799","","","0.1866","0.2218","","","","","","1.084","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549322","7.5046","0.0015","9.6822","0.0019","12.452","0.003","69.07","0.03","79.63","0.03","77.91","0.03","820.8","0.4","293","2","295","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C36 H24 Cl4 N2 O8 -","- C36 H24 Cl4 N2 O8 -","- C36 H24 Cl4 N2 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.0585","0.0474","","","0.1195","0.127","","","","","","1.084","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549323","7.4131","0.0015","10.094","0.002","12.181","0.002","113.45","0.03","99.1","0.03","101","0.03","792.6","0.4","295","2","295","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C36 H26 Br2 N2 O8 -","- C36 H26 Br2 N2 O8 -","- C36 H26 Br2 N2 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.0651","0.0428","","","0.1024","0.1193","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549324","7.9462","0.0016","9.1625","0.0018","11.719","0.002","101.68","0.03","102.13","0.03","97.57","0.03","803.3","0.3","293","2","293","2","","","","","","","Synthesis","4","P -1","-P 1","2","","","","- C38 H26 N4 O8 -","- C38 H26 N4 O8 -","- C38 H26 N4 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.1305","0.0892","","","0.2313","0.2644","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549325","7.8733","0.0016","9.936","0.002","11.49","0.002","106.03","0.03","108.74","0.03","96.25","0.03","798.6","0.4","295","2","295","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C36 H26 Br2 N2 O8 -","- C36 H26 Br2 N2 O8 -","- C36 H26 Br2 N2 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.075","0.0499","","","0.1231","0.1392","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549326","13.513","0.003","6.434","0.0013","18.566","0.004","90","","101.85","0.03","90","","1579.8","0.6","295","2","295","2","","","","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 N4 O8 -","- C38 H26 N4 O8 -","- C76 H52 N8 O16 -","2","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.0832","0.059","","","0.1425","0.1598","","","","","","1.082","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549327","8.9176","0.0018","9.7483","0.0019","10.094","0.002","64.4","0.03","89.6","0.03","88.69","0.03","791.1","0.3","295","2","295","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C36 H26 Cl2 N2 O8 -","- C36 H26 Cl2 N2 O8 -","- C36 H26 Cl2 N2 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.0834","0.0609","","","0.1447","0.1578","","","","","","1.095","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549328","8.8116","0.0018","11.811","0.002","15.299","0.005","90","","107.37","0.03","90","","1519.6","0.7","295","2","295","2","","","","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 N4 O8 -","- C38 H26 N4 O8 -","- C76 H52 N8 O16 -","2","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.1098","0.071","","","0.1642","0.1863","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549329","8.1413","0.0016","11.929","0.002","11.41","0.002","90","","107.94","0.03","90","","1054.2","0.4","295","2","295","2","","","","","","","Synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C56 H40 N8 -","2","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.2381","0.0984","","","0.1752","0.2226","","","","","","1.141","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549330","9.773","0.002","10.033","0.002","16.112","0.003","90","","97.83","0.03","90","","1565.1","0.5","295","2","295","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl2 N2 O8 -","- C36 H26 Cl2 N2 O8 -","- C72 H52 Cl4 N4 O16 -","2","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.0709","0.0506","","","0.1201","0.1317","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549331","9.6552","0.0019","12.927","0.003","13.746","0.005","90","","114.53","0.02","90","","1560.8","0.8","295","2","295","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl N O4 -","- C18 H13 Cl N O4 -","- C72 H52 Cl4 N4 O16 -","4","1","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.1292","0.0722","","","0.1648","0.1969","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549402","34.531","0.003","7.371","0.0007","11.7082","0.0009","90","","100.238","0.009","90","","2932.6","0.4","100","1","100","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","2","","Louis, Marine; Guillot, Régis; Métivier, Rémi; Allain, Clémence","β-Diketone derivatives: influence of the chelating group on the photophysical and mechanofluorochromic properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","6","822","828","10.1039/c8pp00070k","","","0.71073","MoKα","","0.0755","0.0619","","","0.1463","0.1523","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549466","7.538","0.002","9.367","0.003","18.374","0.005","90","","100.039","0.004","90","","1277.5","0.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22.2 O2 -","- C37.996 H22.2 O1.9992 -","- C75.992 H44.4 O3.9984 -","2","0.5","","Inagaki, Yuki; Mutoh, Katsuya; Abe, Jiro","Stepwise photochromism of bisnaphthopyrans exhibiting an excitation intensity-dependent color change.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","7","946","953","10.1039/c8pp00205c","","","0.71073","MoKα","","0.0993","0.074","","","0.1853","0.2043","","","","","","1.035","","","","has coordinates,has disorder","230896","2020-10-21","18:00:00",""
"1549499","14.2183","0.001","13.7802","0.0009","19.1871","0.0012","90","","97.389","0.002","90","","3728.1","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","5,6-Dibromido-1,10-phenanthroline-bis(phendiylpyridine)iridium(III)-hexafluorophosphate","","- C37 H27 Br2 Cl2 F6 Ir N5 P -","- C34 H22 Br2 F6 Ir N4 P -","- C136 H88 Br8 F24 Ir4 N16 P4 -","4","1","","Erdmann, E.; Villinger, A.; König, B; Seidel, W. W.","1,10-Phenanthroline-dithiine iridium and ruthenium complexes: synthesis, characterization and photocatalytic dihydrogen evolution.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","8","1056","1067","10.1039/c8pp00068a","","","0.71073","MoKα","","0.1009","0.0524","","","0.1117","0.1218","","","","","","0.961","","","","has coordinates","230888","2020-10-21","18:00:00",""
"1549500","22.4564","0.0008","13.5405","0.0005","25.1871","0.0009","90","","91.785","0.002","90","","7654.9","0.5","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","1,10-phenanthrolinedithiino[2,3-b]quinoxaline-bis(phendiylpyridine)iridium(III)-hexafluorophosphate","","- C42.5 H27 Cl F6 Ir N6 P S2 -","- C42.5 H27 Cl F6 Ir N6 P S2 -","- C340 H216 Cl8 F48 Ir8 N48 P8 S16 -","8","4","","Erdmann, E.; Villinger, A.; König, B; Seidel, W. W.","1,10-Phenanthroline-dithiine iridium and ruthenium complexes: synthesis, characterization and photocatalytic dihydrogen evolution.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","8","1056","1067","10.1039/c8pp00068a","","","0.71073","MoKα","","0.0995","0.0512","","","0.0953","0.1116","","","","","","1.018","","","","has coordinates,has disorder","230888","2020-10-21","18:00:00",""
"1549701","9.6998","0.0006","20.0864","0.0013","13.8561","0.0009","90","","107.551","0.0015","90","","2574","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H30 Cl N O -","- C34 H30 Cl N O -","- C136 H120 Cl4 N4 O4 -","4","1","","Kuramoto, Yutaro; Nakagiri, Takanobu; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Ikeda, Hiroshi","A leaning amine-ketone dyad with a nonconjugated linker: solvatofluorochromism and dual fluorescence associated with intramolecular charge transfer.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","9","1157","1168","10.1039/c7pp00453b","","","0.71075","MoKα","","0.1372","0.078","","","0.2213","0.2827","","","","","","1.144","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549866","6.74","0.002","11.686","0.004","15.408","0.005","80.71","0.02","80.08","0.02","74.51","0.02","1143.5","0.7","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C50 H70 N2 O6 -","2","1","","Gude, Venkatesh; Rout, Duttanjali; Panigrahi, Mruganka Kumar; Biradha, Kumar","Origin of green photoluminescence in four-ring bent-core molecules with ESIPT, selective sensing of zinc ions by turn-on emission and their liquid crystal properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","10","1386","1395","10.1039/c8pp00216a","","","0.71073","MoKα","","0.3784","0.0883","","","0.1587","0.2393","","","","","","0.755","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549867","6.5854","0.0011","61.276","0.008","7.3258","0.0011","90","","90.629","0.011","90","","2956","0.8","162","2","162","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N2 O6 -","- C35 H36 N2 O6 -","- C140 H144 N8 O24 -","4","1","","Gude, Venkatesh; Rout, Duttanjali; Panigrahi, Mruganka Kumar; Biradha, Kumar","Origin of green photoluminescence in four-ring bent-core molecules with ESIPT, selective sensing of zinc ions by turn-on emission and their liquid crystal properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","10","1386","1395","10.1039/c8pp00216a","","","0.71073","MoKα","","0.2373","0.0885","","","0.1757","0.2178","","","","","","0.835","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549984","10.1174","0.0006","10.6043","0.0006","14.0472","0.0008","83.956","0.001","72.182","0.001","87.318","0.001","1426.66","0.14","100","2","100","","","","","","","","","4","P -1","-P 1","2","","ethyl 4-(2-(5-(tert-butyl)-3-formyl-2-hydroxyphenyl)-4,5-diphenyl-1H-imidazol-1-yl)benzoate","","- C35 H32 N2 O4 -","- C35 H32 N2 O4 -","- C70 H64 N4 O8 -","2","1","","Emandi, Ganapathi; Flanagan, Keith J.; Senge, Mathias O.","Fluorescent imidazole-based chemosensors for the reversible detection of cyanide and mercury ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","10","1450","1461","10.1039/c8pp00226f","","x-ray","0.71073","MoKα","","0.0779","0.0506","","","0.1299","0.1464","","","","","","1.052","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549985","9.5779","0.0003","29.6464","0.0009","10.7257","0.0003","90","","92.205","0.002","90","","3043.31","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-(5-(tert-butyl)-3-formyl-2-hydroxyphenyl)-4,5-diphenyl-1H-imidazol-1-yl)benzoic acid","","- C35 H34 N2 O5 S -","- C35 H34 N2 O5 S -","- C140 H136 N8 O20 S4 -","4","1","","Emandi, Ganapathi; Flanagan, Keith J.; Senge, Mathias O.","Fluorescent imidazole-based chemosensors for the reversible detection of cyanide and mercury ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","10","1450","1461","10.1039/c8pp00226f","","x-ray","1.54178","CuKα","","0.0781","0.0697","","","0.1626","0.1669","","","","","","1.15","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1550332","13.61515","0.00013","13.61515","0.00013","7.67903","0.00013","90","","90","","90","","1423.48","0.03","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4.32 H2.64 Ca O5 -","- C4.32 H2.64 Ca O5 -","- C34.56 H21.12 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54184","CuKα","","0.0806","0.0747","","","0.2029","0.2211","","","","","","1.135","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550333","13.6335","0.0007","13.6335","0.0007","7.6869","0.0018","90","","90","","90","","1428.8","0.4","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4.4 H2.8 Ca O5 -","- C4.4 H2.8 Ca O5 -","- C35.2 H22.4 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0512","0.0489","","","0.1402","0.1424","","","","","","1.067","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550334","13.6557","0.0002","13.6557","0.0002","7.7174","0.0003","90","","90","","90","","1439.13","0.06","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4 H2 Ca O5 -","- C4 H2 Ca O5 -","- C32 H16 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0674","0.0649","","","0.1696","0.1702","","","","","","1.104","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550335","13.575","0.002","13.575","0.002","7.687","0.002","90","","90","","90","","1416.6","0.5","200","2","200","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C4 Ca O6 -","- C4 Ca O5.9999 -","- C32 Ca8 O47.9992 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0632","0.0632","","","0.1734","0.1734","","","","","","1.225","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1552259","8.082","0.004","5.884","0.002","19.02","0.008","90","","101.21","0.006","90","","887.2","0.7","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl N O2 -","- C10 H6 Cl N O2 -","- C40 H24 Cl4 N4 O8 -","4","1","","Wang, Qiaotian; Feng, Xiangqing; Meng, Wei; Du, Haifeng","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed divergent cyanosilylations of chromones dependent on temperature.","Organic & biomolecular chemistry","2019","17","36","8354","8357","10.1039/c9ob01710k","","","0.71073","MoKα","","0.0434","0.0411","","","0.0934","0.0947","","","","","","1.157","","","","has coordinates,has disorder","301780","2025-08-18","21:43:25",""
"1552260","10.406","0.003","9.108","0.002","10.949","0.003","90","","104.637","0.004","90","","1004","0.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl N O2 -","- C11 H8 Cl N O2 -","- C44 H32 Cl4 N4 O8 -","4","1","","Wang, Qiaotian; Feng, Xiangqing; Meng, Wei; Du, Haifeng","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed divergent cyanosilylations of chromones dependent on temperature.","Organic & biomolecular chemistry","2019","17","36","8354","8357","10.1039/c9ob01710k","","","0.71073","MoKα","","0.037","0.0358","","","0.0943","0.0954","","","","","","1.101","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1554753","7.9152","0.0009","11.4088","0.0014","28.388","0.003","90","","90","","90","","2563.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl N O4 -","- C31 H26 Cl N O4 -","- C124 H104 Cl4 N4 O16 -","4","1","","He, Zhao-Lin; Sheong, Fu Kit; Li, Qing-Hua; Lin, Zhenyang; Wang, Chun-Jiang","Exoselective 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acylcycloheptatrienes: stereoselectivity and mechanistic insight.","Organic letters","2015","17","6","1365","1368","10.1021/acs.orglett.5b00011","","","0.71073","MoKα","","0.0692","0.0397","","","0.0708","0.0821","","","","","","0.993","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554755","7.8931","0.0002","9.4542","0.0002","14.3399","0.0004","89.1605","0.0015","82.9814","0.0016","69.4905","0.0014","994.29","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","KCE2","","","- C22 H25 O5 P -","- C22 H25 O5 P -","- C44 H50 O10 P2 -","2","1","","Kim, Cheol-Eui; Son, Jeong-Yu; Shin, Seohyun; Seo, Boram; Lee, Phil Ho","Alkenylation of phosphacoumarins via aerobic oxidative Heck reactions and their synthetic application to fluorescent benzophosphacoumarins.","Organic letters","2015","17","4","908","911","10.1021/acs.orglett.5b00020","","","0.71073","MoKα","","0.1165","0.0635","","","0.1755","0.2068","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554756","12.2068","0.0019","13.731","0.002","14.626","0.002","90","","99.027","0.003","90","","2421.1","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 B F4 N2 O2 -","- C26 H23 B F4 N2 O2 -","- C104 H92 B4 F16 N8 O8 -","4","1","","Luo, Ching-Zong; Jayakumar, Jayachandran; Gandeepan, Parthasarathy; Wu, Yun-Ching; Cheng, Chien-Hong","Rhodium(III)-catalyzed vinylic C-H activation: a direct route toward pyridinium salts.","Organic letters","2015","17","4","924","927","10.1021/acs.orglett.5b00028","","","0.71073","MoKα","","0.1044","0.0605","","","0.1551","0.1851","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554764","10.72","0.003","18.331","0.004","12.174","0.003","90","","110.527","0.006","90","","2240.4","1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 B F4 N O -","- C25 H20 B F4 N O -","- C100 H80 B4 F16 N4 O4 -","4","1","","Luo, Ching-Zong; Jayakumar, Jayachandran; Gandeepan, Parthasarathy; Wu, Yun-Ching; Cheng, Chien-Hong","Rhodium(III)-catalyzed vinylic C-H activation: a direct route toward pyridinium salts.","Organic letters","2015","17","4","924","927","10.1021/acs.orglett.5b00028","","","0.71073","MoKα","","0.098","0.073","","","0.2044","0.2217","","","","","","1.091","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554765","12.3471","0.0004","13.3272","0.0004","13.9786","0.0005","90","","98.588","0.002","90","","2274.42","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 B F4 N2 O2 -","- C25 H21 B F4 N2 O2 -","- C100 H84 B4 F16 N8 O8 -","4","1","","Luo, Ching-Zong; Jayakumar, Jayachandran; Gandeepan, Parthasarathy; Wu, Yun-Ching; Cheng, Chien-Hong","Rhodium(III)-catalyzed vinylic C-H activation: a direct route toward pyridinium salts.","Organic letters","2015","17","4","924","927","10.1021/acs.orglett.5b00028","","","0.71073","MoKα","","0.0607","0.0426","","","0.1293","0.1557","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554767","7.081","0.0004","19.406","0.0012","9.491","0.0006","90","","98.161","0.002","90","","1290.99","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H24 Cl N O3 -","- C31 H24 Cl N O3 -","- C62 H48 Cl2 N2 O6 -","2","1","","Jayakumar, Samydurai; Kumarswamyreddy, Nandarapu; Prakash, Muthuraj; Kesavan, Venkitasamy","Palladium catalyzed asymmetric allylation of 3-OBoc-oxindoles: an efficient synthesis of 3-allyl-3-hydroxyoxindoles.","Organic letters","2015","17","5","1066","1069","10.1021/acs.orglett.5b00034","","","0.71073","MoKα","","0.0981","0.0425","","","0.1003","0.1228","","","","","","0.977","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554773","10.3083","0.0006","14.3567","0.0007","19.2355","0.001","75.287","0.003","74.747","0.003","84.913","0.003","2655.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49.05 H59.38 Cl5.87 Li0.15 N3 P3 Ti2 -","- C49.0508 H59.377 Cl5.8696 Li0.145 N3 P3 Ti2 -","- C98.1016 H118.754 Cl11.7392 Li0.29 N6 P6 Ti4 -","2","1","","Walker, Whitney K.; Anderson, Diana L.; Stokes, Ryjul W.; Smith, Stacey J.; Michaelis, David J.","Allylic aminations with hindered secondary amine nucleophiles catalyzed by heterobimetallic Pd-Ti complexes.","Organic letters","2015","17","3","752","755","10.1021/acs.orglett.5b00058","","","1.54178","CuKα","","0.0484","0.043","","","0.1133","0.1166","","","","","","1.084","","","","has coordinates,has disorder","238111","2020-10-21","18:00:00",""
"1554774","8.8951","0.0003","9.2936","0.0003","13.0036","0.0004","79.226","0.0012","76.069","0.0013","64.74","0.0011","939.24","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cl3 N P Ti -","- C16 H19 Cl3 N P Ti -","- C32 H38 Cl6 N2 P2 Ti2 -","2","1","","Walker, Whitney K.; Anderson, Diana L.; Stokes, Ryjul W.; Smith, Stacey J.; Michaelis, David J.","Allylic aminations with hindered secondary amine nucleophiles catalyzed by heterobimetallic Pd-Ti complexes.","Organic letters","2015","17","3","752","755","10.1021/acs.orglett.5b00058","","","1.54178","CuKα","","0.0295","0.028","","","0.0747","0.0763","","","","","","1.036","","","","has coordinates,has disorder","238112","2020-10-21","18:00:00",""
"1554776","13.871","0.0009","15.1622","0.0009","64.627","0.004","90","","90","","90","","13592","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H26 N1.6 O10 -","- C33 H26 N1.6 O10 -","- C660 H520 N32 O200 -","20","5","","Cao, Pei; Yang, Jing; Miao, Cui-Ping; Yan, Yijun; Ma, Ya-Tuan; Li, Xiao-Nian; Zhao, Li-Xing; Huang, Sheng-Xiong","New duclauxamide from Penicillium manginii YIM PH30375 and structure revision of the duclauxin family.","Organic letters","2015","17","5","1146","1149","10.1021/acs.orglett.5b00081","","","1.54178","CuKα","","0.2965","0.1368","","","0.2977","0.3783","","","","","","1.082","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554782","9.7972","0.0007","10.509","0.0008","15.4371","0.0011","72.931","0.007","74.564","0.006","84.268","0.006","1464.2","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H29 N5 O4 S -","- C34 H29 N5 O4 S -","- C68 H58 N10 O8 S2 -","2","1","","Du, Zao; Xing, Yanpeng; Lu, Ping; Wang, Yanguang","Copper-catalyzed cascade double C3-indolations of 3-diazoindolin-2-imines with indoles: convenient access to 3,3-diaryl-2-iminoindoles.","Organic letters","2015","17","5","1192","1195","10.1021/acs.orglett.5b00089","","","0.71073","MoKα","","0.0625","0.043","","","0.0952","0.1066","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554783","17.5333","0.0008","9.245","0.0004","13.3467","0.0006","90","","107.946","0.002","90","","2058.18","0.16","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N3 O2 -","- C24 H27 N3 O2 -","- C96 H108 N12 O8 -","4","1","","Bechara, William S.; Khazhieva, Inna S.; Rodriguez, Elsa; Charette, André B","One-pot synthesis of 3,4,5-trisubstituted 1,2,4-triazoles via the addition of hydrazides to activated secondary amides.","Organic letters","2015","17","5","1184","1187","10.1021/acs.orglett.5b00128","","x-ray","1.34139","GaKα","","0.0386","0.036","","","0.0925","0.0947","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554791","10.5706","0.0011","17.3802","0.0016","10.1316","0.001","90","","96.996","0.007","90","","1847.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Bechara, William S.; Khazhieva, Inna S.; Rodriguez, Elsa; Charette, André B","One-pot synthesis of 3,4,5-trisubstituted 1,2,4-triazoles via the addition of hydrazides to activated secondary amides.","Organic letters","2015","17","5","1184","1187","10.1021/acs.orglett.5b00128","","x-ray","1.34139","GaKα","","0.1117","0.0595","","","0.1454","0.1626","","","","","","0.985","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554793","10.7482","0.0003","12.7229","0.0005","16.152","0.0007","90","","90","","90","","2208.76","0.14","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 I N2 O3 S -","- C24 H21 I N2 O3 S -","- C96 H84 I4 N8 O12 S4 -","4","1","","Fu, Shaomin; Yang, Honghao; Li, Guoqiang; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Copper(II)-catalyzed enantioselective intramolecular cyclization of N-alkenylureas.","Organic letters","2015","17","4","1018","1021","10.1021/acs.orglett.5b00131","","","0.71073","MoKα","","0.0649","0.0416","","","0.0732","0.0828","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554794","12.8993","0.0014","10.853","0.0011","11.6466","0.0011","90","","90","","90","","1630.5","0.3","293","2","293.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C76 H96 N8 O4 -","4","1","","Li, Bo; Wang, Si-Qing; Liu, Bin; Shi, Bing-Feng","Synthesis of oxazolines from amides via palladium-catalyzed functionalization of unactivated C(sp(3))-H bond.","Organic letters","2015","17","5","1200","1203","10.1021/acs.orglett.5b00151","","","0.71073","MoKα","","0.0566","0.0396","","","0.0889","0.0969","","","","","","1.073","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554796","12.939","0.003","13.093","0.003","15.573","0.004","90","","90","","90","","2638.2","1.1","193","2","193","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C24 H44 B2 N2 O4 -","- C24 H44 B2 N2 O4 -","- C96 H176 B8 N8 O16 -","4","0.5","","Onuma, Kaoru; Suzuki, Katsunori; Yamashita, Makoto","Rhombic cyclobutadiene with a boryl/amino-substitution pattern: boryl group migration induced by reaction with water.","Organic letters","2015","17","5","1212","1215","10.1021/acs.orglett.5b00163","","","0.71075","MoKα","","0.1042","0.0729","","","0.1696","0.1916","","","","","","1.09","","","","has coordinates,has disorder","238124","2020-10-21","18:00:00",""
"1554797","18.923","0.011","58.36","0.03","11.127","0.006","90","","90","","90","","12288","12","93","2","93","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C29 H49 B2 Co N2 O4 -","- C29 H49 B2 Co N2 O4 -","- C464 H784 B32 Co16 N32 O64 -","16","1","","Onuma, Kaoru; Suzuki, Katsunori; Yamashita, Makoto","Rhombic cyclobutadiene with a boryl/amino-substitution pattern: boryl group migration induced by reaction with water.","Organic letters","2015","17","5","1212","1215","10.1021/acs.orglett.5b00163","","","0.71075","MoKα","","0.0539","0.0487","","","0.1098","0.1144","","","","","","1.076","","","","has coordinates,has disorder","238124","2020-10-21","18:00:00",""
"1554798","10.74","0.003","19.626","0.006","13.066","0.004","90","","93.197","0.005","90","","2749.8","1.4","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 B2 N2 O5 -","- C24 H46 B2 N2 O5 -","- C96 H184 B8 N8 O20 -","4","1","","Onuma, Kaoru; Suzuki, Katsunori; Yamashita, Makoto","Rhombic cyclobutadiene with a boryl/amino-substitution pattern: boryl group migration induced by reaction with water.","Organic letters","2015","17","5","1212","1215","10.1021/acs.orglett.5b00163","","","0.71075","MoKα","","0.1097","0.0813","","","0.1827","0.1992","","","","","","1.144","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554802","8.6014","0.0001","17.6656","0.0003","16.4517","0.0003","90","","107.162","0.001","90","","2388.51","0.07","115","","115","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 B2 O2 P -","- C24 H41 B2 O2 P -","- C96 H164 B8 O8 P4 -","4","1","","Bayardon, Jérôme; Bernard, Julie; Rémond, Emmanuelle; Rousselin, Yoann; Malacea-Kabbara, Raluca; Jugé, Sylvain","Efficient synthesis of (P-chirogenic) o-boronated phosphines from sec-phosphine boranes.","Organic letters","2015","17","5","1216","1219","10.1021/acs.orglett.5b00167","","x-ray","0.71073","MoKα","","0.067","0.0417","","","0.0987","0.1084","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554803","12.674","0.002","9.2986","0.0014","12.919","0.002","90","","113.497","0.006","90","","1396.3","0.4","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H33 B2 Fe O2 P -","- C28 H33 B2 Fe O2 P -","- C56 H66 B4 Fe2 O4 P2 -","2","1","","Bayardon, Jérôme; Bernard, Julie; Rémond, Emmanuelle; Rousselin, Yoann; Malacea-Kabbara, Raluca; Jugé, Sylvain","Efficient synthesis of (P-chirogenic) o-boronated phosphines from sec-phosphine boranes.","Organic letters","2015","17","5","1216","1219","10.1021/acs.orglett.5b00167","","x-ray","0.71073","MoKα","","0.0613","0.0394","","","0.1001","0.1114","","","","","","1.019","","","","has coordinates,has disorder","238127","2020-10-21","18:00:00",""
"1554804","10.3874","0.0006","17.4963","0.001","18.3521","0.0009","90","","90","","90","","3335.3","0.3","115","","115","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H43 B2 Fe P -","- C40 H43 B2 Fe P -","- C160 H172 B8 Fe4 P4 -","4","1","","Bayardon, Jérôme; Bernard, Julie; Rémond, Emmanuelle; Rousselin, Yoann; Malacea-Kabbara, Raluca; Jugé, Sylvain","Efficient synthesis of (P-chirogenic) o-boronated phosphines from sec-phosphine boranes.","Organic letters","2015","17","5","1216","1219","10.1021/acs.orglett.5b00167","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0293","0.0265","","","0.0669","0.0688","","","","","","1.063","","","","has coordinates,has disorder","238127","2020-10-21","18:00:00",""
"1554806","10.5408","0.0012","14.0223","0.0015","15.567","0.0017","90","","95.216","0.002","90","","2291.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C104 H96 O32 -","8","2","","Wang, Hong-Li; Shang, Ming; Sun, Shang-Zheng; Zhou, Zeng-Le; Laforteza, Brian N.; Dai, Hui-Xiong; Yu, Jin-Quan","Cu(II)-catalyzed coupling of aromatic C-H bonds with malonates.","Organic letters","2015","17","5","1228","1231","10.1021/acs.orglett.5b00193","","","0.71073","MoKα","","0.0837","0.0625","","","0.164","0.182","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554809","7.9459","0.0004","8.3713","0.0005","15.0845","0.0006","98.477","0.004","91.135","0.004","97.754","0.005","982.54","0.09","293.35","0.1","293.35","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N O5 S2 -","- C19 H18 N O5 S2 -","- C38 H36 N2 O10 S4 -","2","1","","Deng, Zhimin; Wei, Jialiang; Liao, Lihao; Huang, Haiyan; Zhao, Xiaodan","Organoselenium-catalyzed, hydroxy-controlled regio- and stereoselective amination of terminal alkenes: efficient synthesis of 3-amino allylic alcohols.","Organic letters","2015","17","8","1834","1837","10.1021/acs.orglett.5b00213","","","0.71073","MoKα","","0.0703","0.056","","","0.1359","0.1442","","","","","","1.071","","","","has coordinates,has disorder","238131","2020-10-21","18:00:00",""
"1554810","14.8194","0.0008","23.1341","0.0013","17.3079","0.001","90","","104.994","0.002","90","","5731.7","0.6","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C288 H264 O36 -","12","3","","Gelat, Fabien; Richard, Vincent; Berger, Olivier; Montchamp, Jean-Luc","Development of a new family of chiral auxiliaries.","Organic letters","2015","17","8","1819","1821","10.1021/acs.orglett.5b00278","","","0.71073","","","0.0767","0.0598","","","0.1421","0.1543","","","","","","1.083","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554813","8.6811","0.0005","13.1015","0.0008","15.2298","0.0009","66.74","0.006","82.416","0.005","77.876","0.005","1553.57","0.18","171.6","","171.6","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N3 O -","- C17 H16 Cl N3 O -","- C68 H64 Cl4 N12 O4 -","4","2","","Guo, Xiao; Chen, Wenteng; Chen, Binhui; Huang, Wei; Qi, Weixing; Zhang, Guolin; Yu, Yongping","One-pot three-component strategy for functionalized 2-aminoimidazoles via ring opening of α-nitro epoxides.","Organic letters","2015","17","5","1157","1159","10.1021/acs.orglett.5b00289","","","0.71073","MoKα","","0.0699","0.0475","","","0.1077","0.124","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554814","9.4387","0.001","22.551","0.002","28.131","0.004","90","","90","","90","","5987.7","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 N O6 S -","- C34 H35 N O6 S -","- C272 H280 N8 O48 S8 -","8","2","","Peng, Peng; Geng, Yiqun; Göttker-Schnetmann, Inigo; Schmidt, Richard R.","2-Nitro-thioglycosides: α- and β-selective generation and their potential as β-selective glycosyl donors.","Organic letters","2015","17","6","1421","1424","10.1021/acs.orglett.5b00295","","","0.71073","MoKα","","0.087","0.0428","","","0.0557","0.0645","","","","","","0.751","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554815","9.9286","0.0007","17.0093","0.0013","10.0841","0.0008","90","","90.259","0.004","90","","1703","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F2 N O -","- C19 H21 F2 N O -","- C76 H84 F8 N4 O4 -","4","1","","He, Zhengbiao; Tan, Ping; Ni, Chuanfa; Hu, Jinbo","Fluoroalkylative aryl migration of conjugated N-arylsulfonylated amides using easily accessible sodium di- and monofluoroalkanesulfinates.","Organic letters","2015","17","8","1838","1841","10.1021/acs.orglett.5b00308","","","1.54178","CuKα","","0.0581","0.0534","","","0.1608","0.1673","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554822","6.4176","0.0003","20.0965","0.001","9.335","0.0005","90","","98.274","0.005","90","","1191.42","0.1","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Chen, Xiaopei; Cui, Xiuling; Yang, Fangfang; Wu, Yangjie","Base-promoted cross-dehydrogenative coupling of quinoline N-oxides with 1,3-azoles.","Organic letters","2015","17","6","1445","1448","10.1021/acs.orglett.5b00330","","","0.71073","MoKα","","0.0788","0.0487","","","0.1001","0.117","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554824","9.0391","0.0003","9.7069","0.0003","17.2285","0.0005","90","","102.573","0.002","90","","1475.41","0.08","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O5 -","- C20 H14 O5 -","- C80 H56 O20 -","4","1","","Tian, Yuan; Jiang, Nan; Zhang, Ai Hua; Chen, Chao Jun; Deng, Xin Zhao; Zhang, Wen Jing; Tan, Ren Xiang","Muta-mycosynthesis of naphthalene analogs.","Organic letters","2015","17","6","1457","1460","10.1021/acs.orglett.5b00335","","","1.54178","CuKα","","0.0408","0.0379","","","0.1013","0.1042","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554830","8.128","0.001","15.344","0.003","16.979","0.002","90","","102.44","0.01","90","","2067.8","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(1-(mesitylimino)-2,2-dimethylpropyl)pyridin-1-ium triflate","","- C20 H25 F3 N2 O3 S -","- C20 H25 F3 N2 O3 S -","- C80 H100 F12 N8 O12 S4 -","4","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.0583","0.0445","","","0.1067","0.1152","","","","","","1.077","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554831","15.441","0.002","10.924","0.001","27.769","0.006","90","","90.9","0.02","90","","4683.4","1.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Z)-4-(dimethylamino)-1-(1-(mesitylamino)-2,2-dimethylpropyl)pyridin-1-ium trifluoromethanesulfonate","","- C22 H30 F3 N3 O3 S -","- C22 H30 F3 N3 O3 S -","- C176 H240 F24 N24 O24 S8 -","8","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.0994","0.0754","","","0.1711","0.1826","","","","","","1.138","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554832","8.4815","0.0002","11.074","0.0003","21.3223","0.0006","90","","93.426","0.001","90","","1999.1","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino)-1-((isopropylimino)(phenyl)methyl)pyridin- 1-ium trifluoromethanesulfonate","","- C18 H22 F3 N3 O3 S -","- C18 H22 F3 N3 O3 S -","- C72 H88 F12 N12 O12 S4 -","4","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.0388","0.033","","","0.0842","0.0881","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554833","8.61","0.001","9.179","0.001","11.835","0.001","93.38","0.01","95.73","0.01","105.2","0.01","894.57","0.17","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","(Z)-N-(1-(1H-benzo[d]imidazol-1-yl)-2,2-dimethylpropylidene)aniline","","- C21 H25 N3 -","- C21 H25 N3 -","- C42 H50 N6 -","2","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.1082","0.0878","","","0.2187","0.237","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554834","8.693","0.001","17.464","0.002","11.525","0.001","90","","103.69","0.01","90","","1700","0.3","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-N-mesityl-N'-phenylpivalimidamide","","- C20 H26 N2 -","- C20 H26 N2 -","- C80 H104 N8 -","4","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.0515","0.0402","","","0.1012","0.1109","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554835","26.3163","0.0012","26.3163","0.0012","10.403","0.0005","90","","90","","120","","6239.3","0.5","123","2","123","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","(Z)-N'-mesitylpivalimidamide","","- C14 H22 N2 -","- C14 H22 N2 -","- C252 H396 N36 -","18","1","","van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop","Base-stabilized nitrilium ions as convenient imine synthons.","Organic letters","2015","17","6","1461","1464","10.1021/acs.orglett.5b00339","","","0.71073","MoKα","","0.069","0.0638","","","0.1563","0.1614","","","","","","1.035","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554837","12.2787","0.0002","24.2002","0.0004","15.5541","0.0011","90","","101.818","0.007","90","","4523.9","0.4","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H29 B F20 N O2 Rh -","- C49 H29 B F20 N O2 Rh -","- C196 H116 B4 F80 N4 O8 Rh4 -","4","1","","Otley, Kate D.; Ellman, Jonathan A.","An efficient method for the preparation of styrene derivatives via Rh(III)-catalyzed direct C-H vinylation.","Organic letters","2015","17","5","1332","1335","10.1021/acs.orglett.5b00340","","","0.71075","MoKα","","0.0463","0.036","","","0.0742","0.078","","","","","","1.031","","","","has coordinates","238145","2020-10-21","18:00:00",""
"1554838","14.026","0.0015","8.7035","0.0009","12.0599","0.0012","90","","104.008","0.002","90","","1428.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Liu, Rui; Lu, Ze-Hai; Hu, Xiao-Hui; Li, Jun-Li; Yang, Xian-Jin","Monocarboxylation and intramolecular coupling of butenylated arenes via palladium-catalyzed C-H activation process.","Organic letters","2015","17","6","1489","1492","10.1021/acs.orglett.5b00376","","","0.71073","MoKα","","0.0777","0.05","","","0.133","0.1469","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554839","6.9078","0.0004","10.3981","0.0006","10.0732","0.0006","90","","95.471","0.0017","90","","720.24","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 Se -","- C17 H16 O2 Se -","- C34 H32 O4 Se2 -","2","1","","Niu, Wenxue; Yeung, Ying-Yeung","Catalytic and highly enantioselective selenolactonization.","Organic letters","2015","17","7","1660","1663","10.1021/acs.orglett.5b00377","","","0.71073","MoKα","","0.0141","0.0139","","","0.0372","0.0373","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554840","13.594","0.0003","13.594","0.0003","5.7493","0.0004","90","","90","","120","","920.11","0.07","85","2","85","2","","","","","","","","3","P 32","P 32","145","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C36 H60 O12 -","3","1","","Wang, Hengbin; Negretti, Solymar; Knauff, Allison R.; Montgomery, John","Exo-selective reductive macrocyclization of ynals.","Organic letters","2015","17","6","1493","1496","10.1021/acs.orglett.5b00381","","","1.54178","CuKα","","0.0269","0.0265","","","0.0645","0.0648","","","","","","1.084","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554841","9.2455","0.0012","10.1411","0.0013","14.412","0.0018","90","","90","","90","","1351.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Gu, Xiaodong; Dai, Yuanyuan; Guo, Tingting; Franchino, Allegra; Dixon, Darren J.; Ye, Jinxing","A general, scalable, organocatalytic nitro-Michael addition to enones: enantioselective access to all-carbon quaternary stereocenters.","Organic letters","2015","17","6","1505","1508","10.1021/acs.orglett.5b00387","","","0.71073","MoKα","","0.0414","0.0334","","","0.0811","0.0843","","","","","","1.006","","","","has coordinates","238149","2020-10-21","18:00:00",""
"1554842","15.7629","0.0008","11.6907","0.0005","10.7408","0.0007","90","","100.958","0.005","90","","1943.22","0.18","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N3 O2 S -","- C22 H18 F N3 O2 S -","- C88 H72 F4 N12 O8 S4 -","4","1","","Senadi, Gopal Chandru; Hu, Wan-Ping; Lu, Ting-Yi; Garkhedkar, Amol Milind; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng","I₂-TBHP-catalyzed oxidative cross-coupling of N-sulfonyl hydrazones and isocyanides to 5-aminopyrazoles.","Organic letters","2015","17","6","1521","1524","10.1021/acs.orglett.5b00398","","x-ray","0.71073","MoKα","","0.0797","0.0536","","","0.1244","0.1418","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554855","10.0095","0.0004","11.563","0.0004","16.5773","0.0006","90","","99.859","0.004","90","","1890.32","0.12","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N3 O2 S2 -","- C18 H21 N3 O2 S2 -","- C72 H84 N12 O8 S8 -","4","1","","Senadi, Gopal Chandru; Hu, Wan-Ping; Lu, Ting-Yi; Garkhedkar, Amol Milind; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng","I₂-TBHP-catalyzed oxidative cross-coupling of N-sulfonyl hydrazones and isocyanides to 5-aminopyrazoles.","Organic letters","2015","17","6","1521","1524","10.1021/acs.orglett.5b00398","","x-ray","0.71073","MoKα","","0.094","0.0627","","","0.166","0.1923","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554856","18.687","0.007","6.709","0.002","37.603","0.013","90","","90.534","0.004","90","","4714","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N2 O8 Si -","- C20 H26 N2 O8 Si -","- C160 H208 N16 O64 Si8 -","8","1","","Yin, Zhiping; Liu, Zengjin; Huang, Zhenggang; Chu, Yang; Chu, Zhiwen; Hu, Jia; Gao, Lu; Song, Zhenlei","Synthesis of functionalized γ-lactone via Sakurai exo-cyclization/rearrangement of 3,3-bis(silyl) enol ester with a tethered acetal.","Organic letters","2015","17","6","1553","1556","10.1021/acs.orglett.5b00437","","","0.71073","MoKα","","0.1503","0.0814","","","0.2045","0.2506","","","","","","1.019","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554858","14.2686","0.0006","14.6629","0.0006","17.0163","0.0007","80.443","0.001","70.781","0.001","82.037","0.001","3301.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H85 I3 N10 O12 -","- C60 H85 I3 N10 O12 -","- C120 H170 I6 N20 O24 -","2","1","","Saha, Subrata; Santra, Saikat; Ghosh, Pradyut","[2]Pseudorotaxane composed of heteroditopic macrobicycle and pyridine N-oxide based axle: recognition site dependent axle orientation.","Organic letters","2015","17","8","1854","1857","10.1021/acs.orglett.5b00470","","","0.71073","MoKα","","0.0348","0.0311","","","0.0924","0.1039","","","","","","1.037","","","","has coordinates","238155","2020-10-21","18:00:00",""
"1554860","22.9779","0.0017","30.564","0.002","22.926","0.002","90","","114.207","0.0019","90","","14685.1","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H78 Cl6 N10 O10 -","- C60 H78 Cl6 N10 O10 -","- C480 H624 Cl48 N80 O80 -","8","1","","Saha, Subrata; Santra, Saikat; Ghosh, Pradyut","[2]Pseudorotaxane composed of heteroditopic macrobicycle and pyridine N-oxide based axle: recognition site dependent axle orientation.","Organic letters","2015","17","8","1854","1857","10.1021/acs.orglett.5b00470","","","0.71073","MoKα","","0.189","0.1709","","","0.4969","0.5109","","","","","","2.263","","","","has coordinates,has disorder","238157","2020-10-21","18:00:00",""
"1554862","8.5362","0.0003","11.0883","0.0005","14.8339","0.001","89.337","0.006","75.808","0.005","89.011","0.006","1360.96","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 F3 N2 O8 -","- C27 H27 F3 N2 O8 -","- C54 H54 F6 N4 O16 -","2","1","","Huang, Lin; Zheng, Sheng-Cai; Tan, Bin; Liu, Xin-Yuan","Metal-free direct 1,6- and 1,2-difunctionalization triggered by radical trifluoromethylation of alkenes.","Organic letters","2015","17","6","1589","1592","10.1021/acs.orglett.5b00479","","","1.54178","CuKα","","0.1057","0.0873","","","0.2181","0.2574","","","","","","1.457","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554864","8.6933","0.0005","19.9383","0.0012","7.6281","0.0004","90","","90","","90","","1322.18","0.13","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N O7 -","- C14 H11 N O7 -","- C56 H44 N4 O28 -","4","1","","Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","Substituted quinoline quinones as surrogates for the PQQ cofactor: an electrochemical and computational study.","Organic letters","2015","17","8","1850","1853","10.1021/acs.orglett.5b00486","","","0.71073","MoKα","","0.0229","0.0222","","","0.0602","0.0607","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554867","9.8067","0.0014","9.9678","0.0014","11.8916","0.0017","90","","104.237","0.007","90","","1126.7","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Br N O4 S -","- C23 H26 Br N O4 S -","- C46 H52 Br2 N2 O8 S2 -","2","1","","Serpier, Fabien; Flamme, Benjamin; Brayer, Jean-Louis; Folléas, Benoît; Darses, Sylvain","Chiral pyrrolidines and piperidines from enantioselective rhodium-catalyzed cascade arylative cyclization.","Organic letters","2015","17","7","1720","1723","10.1021/acs.orglett.5b00493","","","0.71073","MoKα","","0.0256","0.0234","","","0.0609","0.062","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554869","10.443","0.0011","11.228","0.0011","11.795","0.0011","70.186","0.002","87.728","0.002","65.484","0.002","1175.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 N O3 S2 -","- C28 H19 N O3 S2 -","- C56 H38 N2 O6 S4 -","2","1","","Ming, Wenbo; Liu, Xiaocui; Wang, Lianjie; Liu, Jun; Wang, Mang","Tandem Thien- and benzannulations of α-alkenoyl-α-alkynyl ketene dithioacetals with cyanoacetates: synthesis of functionalized benzo[b]thiophenes.","Organic letters","2015","17","7","1746","1749","10.1021/acs.orglett.5b00523","","","0.71069","MoKα","","0.1137","0.0537","","","0.1078","0.1355","","","","","","1.006","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554871","5.1627","0.0004","14.8595","0.0012","17.7219","0.0014","90","","96.198","0.001","90","","1351.59","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C60 H84 N4 O12 -","4","1","","Borrero, Nicholas V.; DeRatt, Lindsey G.; Ferreira Barbosa, Lais; Abboud, Khalil A.; Aponick, Aaron","Tandem gold-catalyzed dehydrative cyclization/diels-alder reactions: facile access to indolocarbazole alkaloids.","Organic letters","2015","17","7","1754","1757","10.1021/acs.orglett.5b00528","","","0.71073","MoKα","","0.042","0.0381","","","0.1042","0.1072","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554873","5.9724","0.0004","14.8969","0.001","16.4863","0.0011","90","","90","","90","","1466.79","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Peraino, Nicholas J.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Diastereoselective synthesis of γ-lactones through reaction of enediolates with α,β-unsaturated sulfoxonium salts.","Organic letters","2015","17","7","1735","1737","10.1021/acs.orglett.5b00545","","","1.54178","CuKα","","0.0441","0.0392","","","0.0962","0.1003","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554875","6.0066","0.0008","11.7969","0.0015","16.772","0.002","90","","97.594","0.003","90","","1178","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br O2 -","- C12 H13 Br O2 -","- C48 H52 Br4 O8 -","4","1","","Che, Chao; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed trans-carbohalogenation of terminal alkynes with functionalized tertiary alkyl halides.","Organic letters","2015","17","6","1617","1620","10.1021/acs.orglett.5b00546","","","0.71073","MoKα","","0.0433","0.0332","","","0.0804","0.0846","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554877","10.4176","0.0004","11.9596","0.0004","16.0413","0.0006","90","","114.231","0.002","90","","1822.51","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","1","","Che, Chao; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed trans-carbohalogenation of terminal alkynes with functionalized tertiary alkyl halides.","Organic letters","2015","17","6","1617","1620","10.1021/acs.orglett.5b00546","","","0.71073","MoKα","","0.2233","0.1153","","","0.2096","0.24","","","","","","1.295","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554878","8.527","0.0004","16.7982","0.0007","9.3056","0.0004","90","","102.717","0.003","90","","1300.22","0.1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","JSGP952CRIS","((1S,5S,6Z,8Z)-cyclonona-6,8-diene-1,5-diyl)bis(methylene) bis(((S)-1-phenylethyl)carbamate)","","- C29 H36 N2 O4 -","- C29 H36 N2 O4 -","- C58 H72 N4 O8 -","2","1","","Prado, Gustavo; Veiga, Alberte X.; Fernández-Nieto, Fernando; Paleo, M. Rita; Sardina, F. Javier","A two-step, stereoselective synthesis of nine- and ten-membered carbocycles from phthalates.","Organic letters","2015","17","9","2054","2057","10.1021/acs.orglett.5b00552","","x-ray","0.71073","MoKα","","0.0594","0.042","","","0.0901","0.0972","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554880","14.0887","0.0005","10.5929","0.0004","9.0247","0.0003","90","","114.771","0.002","90","","1222.92","0.08","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","JSGP1059","trans-(6Z,8Z)-1,5-Dimethylcyclonona-6,8-diene-1,5-diyl)dimethanol","","- C13 H22 O2 -","- C13 H22 O2 -","- C52 H88 O8 -","4","1","","Prado, Gustavo; Veiga, Alberte X.; Fernández-Nieto, Fernando; Paleo, M. Rita; Sardina, F. Javier","A two-step, stereoselective synthesis of nine- and ten-membered carbocycles from phthalates.","Organic letters","2015","17","9","2054","2057","10.1021/acs.orglett.5b00552","","x-ray","0.71073","MoKα","","0.0604","0.0455","","","0.0925","0.099","","","","","","0.995","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554885","5.0746","0.0009","14.828","0.003","16.699","0.003","65.191","0.003","89.579","0.004","80.838","0.003","1123.5","0.4","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C20 H20 Br2 Cl2 N2 O4 -","- C20 H20 Br2 Cl2 N2 O4 -","- C40 H40 Br4 Cl4 N4 O8 -","2","2","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","x-ray","0.71073","MoKα","","0.1174","0.0611","","","0.1252","0.1461","","","","","","0.988","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554887","4.8035","0.0006","8.2644","0.001","18.363","0.002","90","","94.441","0.003","90","","726.79","0.15","100","","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","ca180213","","- C13 H15 Br Cl N O3 -","- C13 H15 Br Cl N O3 -","- C26 H30 Br2 Cl2 N2 O6 -","2","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.0354","0.0267","","","0.0424","0.044","","","","","","0.948","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554890","10.669","0.003","4.7706","0.0014","15.964","0.005","90","","107.952","0.004","90","","773","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(2R,4R,5R)-2,5-dichlorohexane-1,3-diyl bis((4-bromophenyl)carbamate)","","- C13 H16 Br Cl2 N O3 -","- C13 H16 Br Cl2 N O3 -","- C26 H32 Br2 Cl4 N2 O6 -","2","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","x-ray","0.71073","MoKα","K-L~3~","0.0266","0.0214","","","0.039","0.0399","","","","","","0.899","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554894","4.9886","0.0007","19.578","0.003","9.0155","0.0013","90","","92.03","0.003","90","","880","0.2","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","(5R)-2,5-dichlorohexane-1,3-diol","","- C6 H12 Cl2 O2 -","- C6 H12 Cl2 O2 -","- C24 H48 Cl8 O8 -","4","2","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.0203","0.019","","","0.0479","0.0484","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554896","12.2792","0.0011","4.9357","0.0003","13.4763","0.0012","90","","115.38","0.002","90","","737.92","0.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","((2S,3S)-3-((R)-1-chloropropyl)oxiran-2-yl)methyl (4-bromophenyl)carbamate","","- C13 H15 Br Cl N O3 -","- C13 H15 Br Cl N O3 -","- C26 H30 Br2 Cl2 N2 O6 -","2","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","x-ray","0.71073","MoKα","K-L~3~","0.072","0.0486","","","0.0994","0.1074","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554898","16.929","0.008","4.841","0.002","36.446","0.016","90","","101.211","0.009","90","","2930","2","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H15 Br Cl N O3 -","- C13 H15 Br Cl N O3 -","- C104 H120 Br8 Cl8 N8 O24 -","8","2","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.144","0.0989","","","0.2008","0.2163","","","","","","1.098","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554900","6.1403","0.001","13.657","0.003","20.719","0.004","90","","90","","90","","1737.5","0.6","100","2","100.04","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,3R,5R)-ethyl 5-chloro-3-hydroxy-2-(((4-nitrophenyl)sulfonyl)oxy)hexanoate","","- C14 H18 Cl N O8 S -","- C14 H18 Cl N O8 S -","- C56 H72 Cl4 N4 O32 S4 -","4","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.0649","0.0403","","","0.0738","0.0828","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554902","5.8932","0.0006","9.8358","0.001","14.7998","0.0015","90","","90","","90","","857.86","0.15","100","","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4R)-2,4-dichlorohexane-1,3-diol","","- C6 H12 Cl2 O2 -","- C6 H12 Cl2 O2 -","- C24 H48 Cl8 O8 -","4","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","x-ray","0.71073","MoKα","K-L~3~","0.0179","0.0172","","","0.0441","0.0445","","","","","","1.1","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554904","17.283","0.002","5.72","0.0004","16.0086","0.0018","90","","115.367","0.008","90","","1430","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Bunescu, Ala; Wang, Qian; Zhu, Jieping","Synthesis of functionalized epoxides by copper-catalyzed alkylative epoxidation of allylic alcohols with alkyl nitriles.","Organic letters","2015","17","8","1890","1893","10.1021/acs.orglett.5b00571","","","0.71073","MoKα","","0.0871","0.0545","","","0.1082","0.1246","","","","","","1.082","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554907","8.2684","0.0004","13.1049","0.0005","14.9823","0.0006","90","","98.209","0.004","90","","1606.8","0.12","223","0.1","223","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N2 O10 Pd3 -","- C28 H36 N2 O10 Pd3 -","- C56 H72 N4 O20 Pd6 -","2","0.5","","Guo, Kun; Chen, Xiaolan; Guan, Mingyu; Zhao, Yingsheng","Direct ortho-C-H functionalization of aromatic alcohols masked by acetone oxime ether via exo-palladacycle.","Organic letters","2015","17","7","1802","1805","10.1021/acs.orglett.5b00594","","","0.71073","MoKα","","0.0367","0.0288","","","0.0694","0.0733","","","","","","1.085","","","","has coordinates","238197","2020-10-21","18:00:00",""
"1554909","9.82013","0.00019","15.1033","0.0003","12.9881","0.0002","90","","93.8267","0.0017","90","","1922.05","0.06","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 B N O2 -","- C21 H24 B N O2 -","- C84 H96 B4 N4 O8 -","4","1","","Pareek, Manish; Fallon, Thomas; Oestreich, Martin","Platinum(0)-Catalyzed Indolyne Insertion into Bis(pinacolato)diboron Followed by Site-Selective Suzuki-Miyaura Cross-Coupling.","Organic letters","2015","17","9","2082","2085","10.1021/acs.orglett.5b00604","","x-ray","1.54184","CuKα","","0.0464","0.0402","","","0.0988","0.104","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554912","9.9728","0.0013","10.8425","0.0014","25.575","0.003","90","","90","","90","","2765.4","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 B2 F8 N5 O -","- C20 H41 B2 F8 N5 O -","- C80 H164 B8 F32 N20 O4 -","4","1","","Mirabdolbaghi, Roya; Dudding, Travis","Expanding the forefront of strong organic Brønsted acids: proton-catalyzed hydroamination of unactivated alkenes and activation of Au(I) for alkyne hydroamination.","Organic letters","2015","17","8","1930","1933","10.1021/acs.orglett.5b00617","","","0.71073","MoKα","","0.0584","0.0481","","","0.1346","0.1405","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554914","7.9555","0.0007","12.7291","0.0011","14.1773","0.0012","101.894","0.002","105.578","0.002","101.34","0.002","1304","0.2","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 F3 N3 O4 -","- C25 H36 F3 N3 O4 -","- C50 H72 F6 N6 O8 -","2","1","","Geoghegan, Kimberly; Bode, Jeffrey W.","Bespoke SnAP reagents for the synthesis of C-substituted spirocyclic and bicyclic saturated N-heterocycles.","Organic letters","2015","17","8","1934","1937","10.1021/acs.orglett.5b00618","","x-ray","0.71073","MoKα","","0.0713","0.0557","","","0.1451","0.1567","","","","","","1.035","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554915","9.676","0.002","6.0187","0.0014","35.338","0.008","90","","90.313","0.003","90","","2057.9","0.8","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 F3 N2 O3 -","- C20 H27 F3 N2 O3 -","- C80 H108 F12 N8 O12 -","4","1","","Geoghegan, Kimberly; Bode, Jeffrey W.","Bespoke SnAP reagents for the synthesis of C-substituted spirocyclic and bicyclic saturated N-heterocycles.","Organic letters","2015","17","8","1934","1937","10.1021/acs.orglett.5b00618","","x-ray","0.71073","MoKα","","0.102","0.061","","","0.1201","0.1345","","","","","","1.059","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554916","8.4082","0.0007","8.9935","0.0007","12.6932","0.001","109.241","0.002","90.111","0.002","102.16","0.002","883.25","0.12","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 F3 N2 O3 -","- C18 H23 F3 N2 O3 -","- C36 H46 F6 N4 O6 -","2","1","","Geoghegan, Kimberly; Bode, Jeffrey W.","Bespoke SnAP reagents for the synthesis of C-substituted spirocyclic and bicyclic saturated N-heterocycles.","Organic letters","2015","17","8","1934","1937","10.1021/acs.orglett.5b00618","","x-ray","0.71073","MoKα","","0.0574","0.0392","","","0.0873","0.0978","","","","","","1.016","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554917","5.8836","0.0004","19.2027","0.0012","26.5181","0.0016","90","","90","","90","","2996","0.3","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 N O -","- C18 H16 F3 N O -","- C144 H128 F24 N8 O8 -","8","2","","Geoghegan, Kimberly; Bode, Jeffrey W.","Bespoke SnAP reagents for the synthesis of C-substituted spirocyclic and bicyclic saturated N-heterocycles.","Organic letters","2015","17","8","1934","1937","10.1021/acs.orglett.5b00618","","x-ray","1.54178","CuKα","","0.0467","0.0355","","","0.0773","0.0821","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554920","13.529","0.0011","16.7566","0.0013","8.6938","0.0007","90","","116.175","0.001","90","","1768.8","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H16 N2 O2 S -","- C21 H16 N2 O2 S -","- C84 H64 N8 O8 S4 -","4","1","","Lee, Dong Jin; Yoo, Eun Jeong","Efficient synthesis of C-N-coupled heterobiaryls by sequential N-H functionalization reactions.","Organic letters","2015","17","8","1830","1833","10.1021/acs.orglett.5b00625","","","0.71073","MoKα","","0.0773","0.045","","","0.0859","0.1431","","","","","","1.28","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554921","12.5268","0.001","10.8502","0.0008","16.3904","0.0013","90","","103.482","0.002","90","","2166.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Lee, Dong Jin; Yoo, Eun Jeong","Efficient synthesis of C-N-coupled heterobiaryls by sequential N-H functionalization reactions.","Organic letters","2015","17","8","1830","1833","10.1021/acs.orglett.5b00625","","","0.71073","MoKα","","0.1661","0.0968","","","0.2808","0.3388","","","","","","1.089","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554924","6.42","0.0003","8.0707","0.0003","40.1927","0.0015","90","","90","","90","","2082.54","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 F N2 O5 Si -","- C19 H29 F N2 O5 Si -","- C76 H116 F4 N8 O20 Si4 -","4","1","","Istrate, Alena; Medvecky, Michal; Leumann, Christian J.","2'-Fluorination of tricyclo-DNA controls furanose conformation and increases RNA affinity.","Organic letters","2015","17","8","1950","1953","10.1021/acs.orglett.5b00662","","x-ray","0.71073","MoKα","","0.0472","0.0432","","","0.0973","0.0995","","","","","","1.1","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554926","7.5248","0.0006","11.7969","0.0011","18.7512","0.0017","90","","98.035","0.002","90","","1648.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","2","","Bisai, Vishnumaya; Unhale, Rajshekhar A.; Suneja, Arun; Dhanasekaran, Sivasankaran; Singh, Vinod K.","An Efficient Entry to syn- and anti-Selective Isoindolinones via an Organocatalytic Direct Mannich/Lactamization Sequence.","Organic letters","2015","17","9","2102","2105","10.1021/acs.orglett.5b00676","","","0.71073","MoKα","","0.0694","0.0382","","","0.0763","0.0858","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554930","5.36225","0.00005","12.0412","0.0001","27.5363","0.0003","90","","90","","90","","1777.96","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 S3 -","- C16 H25 N O2 S3 -","- C64 H100 N4 O8 S12 -","4","1","","Das, Manas; O'Shea, Donal F","Silyloxide-promoted diastereoselective addition of aryl and heterocyclic trimethylsilanes to N-tert-butanesulfinylimines.","Organic letters","2015","17","8","1962","1965","10.1021/acs.orglett.5b00697","","","0.71073","MoKα","","0.0242","0.0226","","","0.0567","0.0576","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554932","11.7646","0.0004","15.4251","0.0003","12.0356","0.0004","90","","118.452","0.004","90","","1920.3","0.12","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H19 Cl F3 N O S -","- C18 H19 Cl F3 N O S -","- C72 H76 Cl4 F12 N4 O4 S4 -","4","2","","Das, Manas; O'Shea, Donal F","Silyloxide-promoted diastereoselective addition of aryl and heterocyclic trimethylsilanes to N-tert-butanesulfinylimines.","Organic letters","2015","17","8","1962","1965","10.1021/acs.orglett.5b00697","","","0.71073","MoKα","","0.0356","0.0325","","","0.0677","0.0705","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554934","5.84461","0.00004","11.3132","0.00006","13.829","0.00008","90","","95.4227","0.0006","90","","910.298","0.01","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Fe N O2 S -","- C19 H23 Fe N O2 S -","- C38 H46 Fe2 N2 O4 S2 -","2","1","","Das, Manas; O'Shea, Donal F","Silyloxide-promoted diastereoselective addition of aryl and heterocyclic trimethylsilanes to N-tert-butanesulfinylimines.","Organic letters","2015","17","8","1962","1965","10.1021/acs.orglett.5b00697","","","1.54184","CuKα","","0.0205","0.0199","","","0.0497","0.0499","","","","","","1.046","","","","has coordinates","238220","2020-10-21","18:00:00",""
"1554935","9.353","0.004","7.448","0.003","12.251","0.005","90","","93.725","0.008","90","","851.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C23 H17 Cl O2 -","- C23 H17 Cl O2 -","- C46 H34 Cl2 O4 -","2","0.5","","Liu, Yang; Jin, Shiyu; Huang, Liping; Hu, Youhong","Phase transfer reagent promoted tandem ring-opening and ring-closing reactions of unique 3-(1-alkynyl) chromones.","Organic letters","2015","17","9","2134","2137","10.1021/acs.orglett.5b00721","","","0.71073","MoKα","","0.0579","0.0483","","","0.1395","0.1509","","","","","","1.044","","","","has coordinates","238221","2020-10-21","18:00:00",""
"1554937","10.8299","0.0004","17.8426","0.0007","16.7462","0.0006","90","","105.418","0.004","90","","3119.5","0.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C133 H116 N8 O21 S4 -","- C133 H112 N8 O21 S4 -","- C133 H112 N8 O21 S4 -","1","0.5","","Xie, Danbo; Yang, Limin; Lin, Youqiang; Zhang, Zhiming; Chen, Dongdong; Zeng, Xiaofei; Zhong, Guofu","Rapid access to spirocylic oxindoles: application of asymmetric N-heterocyclic carbene-catalyzed [3 + 3] cycloaddition of imines to oxindole-derived enals.","Organic letters","2015","17","10","2318","2321","10.1021/acs.orglett.5b00726","","","0.71073","MoKα","","0.0898","0.071","","","0.1937","0.2096","","","","","","1.057","","","","has coordinates","238223","2020-10-21","18:00:00",""
"1554941","14.7817","0.0005","10.4931","0.0003","20.1054","0.0007","90","","110.04","0.0011","90","","2929.66","0.17","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 Cl N O -","- C39 H30 Cl N O -","- C156 H120 Cl4 N4 O4 -","4","1","","Koy, Maximilian; Engle, Keary M.; Henling, Lawrence M.; Takase, Michael K.; Grubbs, Robert H.","Synthesis of substituted dihydrobenzofurans via tandem S(N)Ar/5-exo-trig cyclization.","Organic letters","2015","17","8","1986","1989","10.1021/acs.orglett.5b00743","","","0.71073","MoKα","","0.0729","0.053","","","0.136","0.1495","","","","","","1.079","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554944","12.0241","0.0005","10.8634","0.0004","15.0306","0.0006","90","","92.829","0.002","90","","1960.94","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cl N O -","- C24 H24 Cl N O -","- C96 H96 Cl4 N4 O4 -","4","1","","Koy, Maximilian; Engle, Keary M.; Henling, Lawrence M.; Takase, Michael K.; Grubbs, Robert H.","Synthesis of substituted dihydrobenzofurans via tandem S(N)Ar/5-exo-trig cyclization.","Organic letters","2015","17","8","1986","1989","10.1021/acs.orglett.5b00743","","","0.71073","MoKα","","0.0526","0.0372","","","0.1016","0.112","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554948","16.3879","0.0009","7.0026","0.0004","17.8667","0.001","90","","103.718","0.003","90","","1991.86","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl N O -","- C24 H24 Cl N O -","- C96 H96 Cl4 N4 O4 -","4","1","","Koy, Maximilian; Engle, Keary M.; Henling, Lawrence M.; Takase, Michael K.; Grubbs, Robert H.","Synthesis of substituted dihydrobenzofurans via tandem S(N)Ar/5-exo-trig cyclization.","Organic letters","2015","17","8","1986","1989","10.1021/acs.orglett.5b00743","","","0.71073","MoKα","","0.0713","0.044","","","0.1046","0.1102","","","","","","1.703","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554950","11.705","0.002","28.512","0.006","22.406","0.005","90","","98.94","0.03","90","","7387","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152.5 H199 B4 N7 O23 -","- C152.028 H198.732 B4 N6.676 O22.676 -","- C304.056 H397.464 B8 N13.352 O45.352 -","2","0.5","","Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Nestable Tetrakis(spiroborate) Nanocycles.","Organic letters","2015","17","9","2154","2157","10.1021/acs.orglett.5b00747","","","0.8","synchrotron","","0.1905","0.1828","","","0.4757","0.5029","","","","","","2.579","","","","has coordinates","238234","2020-10-21","18:00:00",""
"1554955","13.488","0.003","14.281","0.003","14.287","0.003","90","","108.36","0.03","90","","2611.9","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 F24 N4 P4 -","- C50 H44 F24 N4 P4 -","- C100 H88 F48 N8 P8 -","2","0.5","","Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Nestable Tetrakis(spiroborate) Nanocycles.","Organic letters","2015","17","9","2154","2157","10.1021/acs.orglett.5b00747","","","0.7","synchrotron","","0.0765","0.0625","","","0.1881","0.2002","","","","","","1.097","","","","has coordinates,has disorder","238236","2020-10-21","18:00:00",""
"1554956","16.134","0.003","16.609","0.003","16.766","0.003","85.82","0.03","65.15","0.03","75.26","0.03","3939.7","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C186 H168 B4 N14 O31 -","- C186 H168 B4 N14 O31 -","- C186 H168 B4 N14 O31 -","1","0.5","","Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Nestable Tetrakis(spiroborate) Nanocycles.","Organic letters","2015","17","9","2154","2157","10.1021/acs.orglett.5b00747","","","0.7","synchrotron","","0.1734","0.0878","","","0.2443","0.2936","","","","","","1.038","","","","has coordinates","238237","2020-10-21","18:00:00",""
"1554959","42.193","0.008","8.356","0.0017","15.63","0.003","90","","90.76","0.03","90","","5510.1","1.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C117 H171 B4 N4 O20 -","- C117 H171 B4 N4 O20 -","- C234 H342 B8 N8 O40 -","2","0.5","","Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Nestable Tetrakis(spiroborate) Nanocycles.","Organic letters","2015","17","9","2154","2157","10.1021/acs.orglett.5b00747","","","0.8","synchrotron","","0.0714","0.0697","","","0.1964","0.1988","","","","","","1.032","","","","has coordinates,has disorder","238239","2020-10-21","18:00:00",""
"1554960","16.67","0.003","17.44","0.004","19.659","0.004","81.21","0.03","74.06","0.03","62.19","0.03","4859","2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C180 H112 B4 D84 N4 O34 S14 -","- C179.868 H112 B4 D83.604 N4 O33.934 S13.934 -","- C179.868 H112 B4 D83.604 N4 O33.934 S13.934 -","1","0.5","","Danjo, Hiroshi; Hashimoto, Yuhki; Kidena, Yuki; Nogamine, Ayumi; Katagiri, Kosuke; Kawahata, Masatoshi; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Nestable Tetrakis(spiroborate) Nanocycles.","Organic letters","2015","17","9","2154","2157","10.1021/acs.orglett.5b00747","","","0.8","synchrotron","","0.2091","0.1643","","","0.4341","0.4745","","","","","","1.787","","","","has coordinates,has disorder","238240","2020-10-21","18:00:00",""
"1554968","11.446","0.002","13.451","0.003","22.036","0.004","98.71","0.03","104.3","0.03","98.36","0.03","3189.9","1.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H56 N8 O8 -","- C70 H56 N8 O8 -","- C140 H112 N16 O16 -","2","1","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Quaterpyrroles as building blocks for the synthesis of expanded porphyrins.","Organic letters","2015","17","9","2194","2197","10.1021/acs.orglett.5b00767","","","1.54178","CuKα","","0.1175","0.0986","","","0.2998","0.3166","","","","","","1.14","","","","has coordinates","238242","2020-10-21","18:00:00",""
"1554969","16.098","0.003","8.0852","0.0016","19.417","0.004","90","","103.12","0.03","90","","2461.3","0.9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 N4 O2 -","- C32 H26 N4 O2 -","- C128 H104 N16 O8 -","4","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Quaterpyrroles as building blocks for the synthesis of expanded porphyrins.","Organic letters","2015","17","9","2194","2197","10.1021/acs.orglett.5b00767","","","1.54178","CuKα","","0.059","0.0527","","","0.1479","0.1506","","","","","","1.119","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554971","7.3964","0.0015","23.302","0.005","16.073","0.003","90","","94.05","0.03","90","","2763.3","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N4 O4 -","- C34 H30 N4 O4 -","- C136 H120 N16 O16 -","4","1","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Quaterpyrroles as building blocks for the synthesis of expanded porphyrins.","Organic letters","2015","17","9","2194","2197","10.1021/acs.orglett.5b00767","","","1.54178","CuKα","","0.0508","0.049","","","0.1373","0.1391","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554973","37.78","0.008","8.9173","0.0018","26.953","0.005","90","","133.41","0.03","90","","6596","4","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C70 H58 Cl6 N8 O12 S -","- C70 H58 Cl6 N8 O12 S -","- C280 H232 Cl24 N32 O48 S4 -","4","1","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Quaterpyrroles as building blocks for the synthesis of expanded porphyrins.","Organic letters","2015","17","9","2194","2197","10.1021/acs.orglett.5b00767","","","1.54178","CuKα","","0.1583","0.1172","","","0.2834","0.3225","","","","","","1.146","","","","has coordinates,has disorder","238247","2020-10-21","18:00:00",""
"1554978","12.4447","0.0011","15.6502","0.0013","7.9646","0.0007","90","","105.739","0.006","90","","1493","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br N O4 -","- C16 H10 Br N O4 -","- C64 H40 Br4 N4 O16 -","4","1","","Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam","Copper(II)-catalyzed direct dioxygenation of alkenes with air and N-hydroxyphthalimide: synthesis of β-keto-N-alkoxyphthalimides.","Organic letters","2015","17","8","2010","2013","10.1021/acs.orglett.5b00770","","","0.71073","MoKα","","0.1404","0.0738","","","0.1947","0.2308","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554981","13.0106","0.0005","13.1402","0.0006","14.3888","0.0007","80.344","0.004","63.999","0.004","78.993","0.003","2160.42","0.18","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H120 N14 O26 S8 -","- C70 H120 N14 O26 S8 -","- C70 H120 N14 O26 S8 -","1","0.5","","Dumitrescu, Dan; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","New ""pyrene box"" cages for adaptive guest conformations.","Organic letters","2015","17","9","2178","2181","10.1021/acs.orglett.5b00779","","","0.71073","MoKα","","0.0605","0.0483","","0.0645","0.055","0.055","","","","","","1.0683","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554982","13.4741","0.0003","14.6965","0.0003","22.6791","0.0004","90","","92.704","0.0017","90","","4485.96","0.16","175","","175","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 N12 O16 S4 -","- C30 H60 N12 O16 S4 -","- C120 H240 N48 O64 S16 -","4","0.5","","Dumitrescu, Dan; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","New ""pyrene box"" cages for adaptive guest conformations.","Organic letters","2015","17","9","2178","2181","10.1021/acs.orglett.5b00779","","","0.71073","MoKα","","0.0871","0.0769","","0.0751","0.0684","0.0684","","","","","","1.1565","","","","has coordinates","238252","2020-10-21","18:00:00",""
"1554988","11.2634","0.0018","15.966","0.002","16.009","0.004","111.587","0.016","100.691","0.016","109.004","0.013","2373.6","1","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H69.97 N4 O14 S4 -","- C40 H69.973 N4 O14 S4 -","- C80 H139.946 N8 O28 S8 -","2","1","","Dumitrescu, Dan; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail","New ""pyrene box"" cages for adaptive guest conformations.","Organic letters","2015","17","9","2178","2181","10.1021/acs.orglett.5b00779","","","0.71073","MoKα","","0.0969","0.0729","","0.0545","0.0454","0.0454","","","","","","1.018","","","","has coordinates,has disorder","238254","2020-10-21","18:00:00",""
"1554990","8.1609","0.0013","9.0398","0.0014","19.318","0.003","90","","90","","90","","1425.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O4 S -","- C15 H13 N O4 S -","- C60 H52 N4 O16 S4 -","4","1","","Liu, Yan-Kai; Li, Zhi-Long; Li, Ji-Yao; Feng, Huan-Xi; Tong, Zhi-Ping","Open-close: an alternative strategy to α-functionalization of lactone via enamine catalysis in one pot under mild conditions.","Organic letters","2015","17","8","2022","2025","10.1021/acs.orglett.5b00794","","","0.71073","MoKα","","0.0846","0.0806","","","0.2376","0.2429","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554994","12.8623","0.0002","11.3355","0.0002","16.9579","0.0003","90","","94.493","0.001","90","","2464.87","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CG0201","","","- C28 H23 N3 O4 S -","- C28 H23 N3 O4 S -","- C112 H92 N12 O16 S4 -","4","1","","Chen, Jing; Li, Jianjun; Wang, Jiazhe; Li, Hao; Wang, Wei; Guo, Yuewei","Phosphine-Catalyzed Aza-MBH Reactions of Vinylpyridines: Efficient and Rapid Access to 2,3,5-Triarylsubstituted 3-Pyrrolines.","Organic letters","2015","17","9","2214","2217","10.1021/acs.orglett.5b00811","","","0.71073","MoKα","","0.0355","0.0306","","","0.0738","0.0771","","","","","","0.998","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554996","6.0808","0.0001","23.3393","0.0006","12.5225","0.0008","90","","94.028","0.007","90","","1772.82","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C76 H88 O28 -","4","1","","Tan, Ceheng; Chen, Wei; Mu, Xinpeng; Chen, Qi; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Synthetic Progress toward Azadirachtins. 2. Enantio- and Diastereoselective Synthesis of the Right-Wing Fragment of 11-epi-Azadirachtin I.","Organic letters","2015","17","10","2338","2341","10.1021/acs.orglett.5b00831","","","1.54187","CuKα","","0.0864","0.0782","","","0.2202","0.2328","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554998","9.6121","0.0018","11.761","0.002","13.648","0.003","98.331","0.003","109.571","0.003","113.637","0.003","1260.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 Br N2 O3 -","- C26 H31 Br N2 O3 -","- C52 H62 Br2 N4 O6 -","2","1","","Zeng, Xiao-Hua; Wang, Hong-Mei; Ding, Ming-Wu","Unexpected Synthesis of 5,6-Dihydropyridin-2(1H)-ones by a Domino Ugi/Aldol/Hydrolysis Reaction Starting from Baylis-Hillman Phosphonium Salts.","Organic letters","2015","17","9","2234","2237","10.1021/acs.orglett.5b00849","","","0.71073","MoKα","","0.0635","0.0431","","","0.135","0.1492","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555000","9.7881","0.0002","13.2333","0.0004","16.5195","0.0011","67.596","0.005","77.669","0.006","72.069","0.005","1870.86","0.16","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 B2 F4 N4 O6 -","- C38 H44 B2 F4 N4 O6 -","- C76 H88 B4 F8 N8 O12 -","2","1","","Huaulmé, Quentin; Mirloup, Antoine; Retailleau, Pascal; Ziessel, Raymond","Synthesis of Highly Functionalized BOPHY Chromophores Displaying Large Stokes Shifts.","Organic letters","2015","17","9","2246","2249","10.1021/acs.orglett.5b00858","","","1.54187","CuKα","","0.0875","0.0565","","","0.1427","0.1927","","","","","","1.175","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555003","9.3088","0.0004","9.5092","0.0004","14.5742","0.0007","92.724","0.004","104.673","0.004","110","0.004","1159.92","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 F N O2 -","- C27 H30 F N O2 -","- C54 H60 F2 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0486","0.0438","","0.1201","0.1143","0.12","","","","","","0.9873","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555004","8.03153","0.00018","10.686","0.0002","28.3689","0.0007","90","","90","","90","","2434.76","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 F N O2 -","- C28 H32 F N O2 -","- C112 H128 F4 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0328","0.0318","","0.0801","0.0793","0.0801","","","","","","1.0054","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555005","11.32263","0.00012","11.32263","0.00012","35.383","0.0004","90","","90","","120","","3928.44","0.07","150","","150","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C28 H32 N4 O2 -","- C28 H32 N4 O2 -","- C168 H192 N24 O12 -","6","1","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0529","0.0514","","0.1369","0.1355","0.1369","","","","","","0.9984","","","","has coordinates","238268","2020-10-21","18:00:00",""
"1555006","9.7073","0.0003","10.168","0.0003","14.0374","0.0004","85.597","0.002","85.998","0.002","82.306","0.002","1366.53","0.07","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C30 H35 N O4 -","- C30 H35 N O4 -","- C60 H70 N2 O8 -","2","2","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0522","0.0493","","0.1433","0.1377","0.1431","","","","","","0.9127","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555007","10.4764","0.0005","10.6867","0.0005","12.3768","0.0004","85.757","0.003","70.552","0.003","69.477","0.004","1222.26","0.1","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C28 H31 F2 N O2 -","- C28 H31 F2 N O2 -","- C56 H62 F4 N2 O4 -","2","2","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0561","0.0557","","0.1558","0.1549","0.1558","","","","","","0.9989","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555008","7.90952","0.00011","16.3522","0.0003","9.53794","0.00013","90","","95.6737","0.0013","90","","1227.58","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 F2 N O2 -","- C28 H31 F2 N O2 -","- C56 H62 F4 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0282","0.028","","0.0721","0.0718","0.0721","","","","","","1.011","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555011","8.3956","0.0008","11.6027","0.0011","23.715","0.002","90","","91.1454","0.0011","90","","2309.7","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","arai20150110","","","- C23 H27 Br N2 O5 -","- C23 H27 Br N2 O5 -","- C92 H108 Br4 N8 O20 -","4","1","","Arai, Takayoshi; Tsuchiya, Kento; Matsumura, Eri","PyBidine-NiCl2-Catalyzed Asymmetric Addition of Alcohols and Peroxides to Isatin-Derived Ketimines.","Organic letters","2015","17","10","2416","2419","10.1021/acs.orglett.5b00928","","","0.71073","MoKα","","0.062","0.0382","","","0.0931","0.1109","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555012","8.4044","0.0011","11.3774","0.0015","11.5451","0.0015","90","","96.16","0.003","90","","1097.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 F3 N2 O S -","- C8 H11 F3 N2 O S -","- C32 H44 F12 N8 O4 S4 -","4","1","","Liang, Zhaoli; Wang, Fei; Chen, Pinhong; Liu, Guosheng","Copper-Catalyzed Intermolecular Trifluoromethylthiocyanation of Alkenes: Convenient Access to CF3-Containing Alkyl Thiocyanates.","Organic letters","2015","17","10","2438","2441","10.1021/acs.orglett.5b00939","","","0.71073","MoKα","","0.0661","0.059","","","0.1531","0.1617","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555018","10.7975","0.0005","11.121","0.0004","17.986","0.0005","82.945","0.002","76.059","0.003","70.925","0.004","1978.74","0.14","115","1","115","1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H112 F14 N4 Sn4 -","- C76 H112 F14 N4 Sn4 -","- C76 H112 F14 N4 Sn4 -","1","0.5","","Hahn, Lena; Wadepohl, Hubert; Gade, Lutz H.","Tetralithiated tetraazaperopyrene as a key intermediate for the synthesis of functionalized derivatives.","Organic letters","2015","17","9","2266","2269","10.1021/acs.orglett.5b00942","","x-ray","1.5418","CuKα","","0.0704","0.0589","","","0.1497","0.1612","","","","","","1.065","","","","has coordinates","238273","2020-10-21","18:00:00",""
"1555019","6.15317","0.00018","9.3804","0.0003","13.8177","0.0004","103.878","0.003","100.265","0.002","98.23","0.003","747.31","0.04","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H4 F26 N4 -","- C32 H4 F26 N4 -","- C32 H4 F26 N4 -","1","0.5","","Hahn, Lena; Wadepohl, Hubert; Gade, Lutz H.","Tetralithiated tetraazaperopyrene as a key intermediate for the synthesis of functionalized derivatives.","Organic letters","2015","17","9","2266","2269","10.1021/acs.orglett.5b00942","","x-ray","1.54184","CuKα","","0.0314","0.029","","","0.0801","0.0819","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555021","12.91","0.005","9.664","0.005","12.157","0.006","90","","90","","90","","1516.7","1.2","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","6-((2-hydroxyphenyl)(phenyl)methyl)cyclohex-2-enone","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Lewis, Robert S.; Garza, Christopher J.; Dang, Ann T.; Pedro, Te Kie A.; Chain, William J.","Michael Additions of Highly Basic Enolates to ortho-Quinone Methides.","Organic letters","2015","17","9","2278","2281","10.1021/acs.orglett.5b00972","","x-ray","0.71075","MoKα","","","0.0567","","","","0.1731","","","","","","0.845","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555022","8.6511","0.0017","11.009","0.002","15.784","0.003","90","","90","","90","","1503.3","0.5","273","","273","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-(1-(2-hydroxyphenyl)pentyl)cyclohex-2-enone","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Lewis, Robert S.; Garza, Christopher J.; Dang, Ann T.; Pedro, Te Kie A.; Chain, William J.","Michael Additions of Highly Basic Enolates to ortho-Quinone Methides.","Organic letters","2015","17","9","2278","2281","10.1021/acs.orglett.5b00972","","x-ray","0.71075","MoKα","","","0.1289","","","","0.4135","","","","","","1.577","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555026","9.724","0.004","10.178","0.004","10.676","0.004","62.165","0.007","79.328","0.007","69.089","0.007","872.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","","Capreti, Naylil M. R.; Jurberg, Igor D.","Michael Addition of Soft Carbon Nucleophiles to Alkylidene Isoxazol-5-ones: A Divergent Entry to β-Branched Carbonyl Compounds.","Organic letters","2015","17","10","2490","2493","10.1021/acs.orglett.5b01004","","","0.71073","MoKα","","0.0692","0.041","","","0.0958","0.1082","","","","","","1.008","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555028","26.4383","0.0016","26.4383","0.0016","8.6956","0.0005","90","","90","","120","","5263.8","0.5","170","2","170","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H13 N O -","- C15 H13 N O -","- C270 H234 N18 O18 -","18","1","","Zhang, Yan; Wang, Dahai; Cui, Sunliang","Facile Synthesis of Isoindolinones via Rh(III)-Catalyzed One-Pot Reaction of Benzamides, Ketones, and Hydrazines.","Organic letters","2015","17","10","2494","2497","10.1021/acs.orglett.5b01016","","","0.71073","MoKα","","0.0492","0.038","","","0.0861","0.0943","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555031","14.8225","0.0019","11.0736","0.0013","18.657","0.003","90","","100.056","0.006","90","","3015.3","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 N O2 -","- C36 H39 N O2 -","- C144 H156 N4 O8 -","4","1","","Reddy, Virsinha; Vijaya Anand, Ramasamy","Expedient Access to Unsymmetrical Diarylindolylmethanes through Palladium-Catalyzed Domino Electrophilic Cyclization-Extended Conjugate Addition Approach.","Organic letters","2015","17","14","3390","3393","10.1021/acs.orglett.5b01030","","","0.71073","MoKα","","0.2069","0.0971","","","0.1779","0.235","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555034","15.0789","0.0011","8.6357","0.0007","18.2167","0.0014","90","","106.122","0.001","90","","2278.8","0.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H27 Fe N O3 S -","- C25 H27 Fe N O3 S -","- C100 H108 Fe4 N4 O12 S4 -","4","2","","Ogasawara, Masamichi; Wada, Shiro; Isshiki, Erika; Kamimura, Takumi; Yanagisawa, Akira; Takahashi, Tamotsu; Yoshida, Kazuhiro","Enantioselective synthesis of planar-chiral ferrocene-fused 4-pyridones and their application in construction of pyridine-based organocatalyst library.","Organic letters","2015","17","9","2286","2289","10.1021/acs.orglett.5b01044","","","0.71073","MoKα","","0.0452","0.0349","","","0.0656","0.0736","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555037","8.9224","0.0002","9.3813","0.0002","18.2533","0.0004","90","","103.064","0.0012","90","","1488.32","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SJY-002","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Son, Jeong-Yu; Kim, Sunghwa; Jeon, Woo Hyung; Lee, Phil Ho","Synthesis of Cinnolin-3(2H)-one Derivatives from Rh-Catalyzed Reaction of Azobenzenes with Diazotized Meldrum's Acid.","Organic letters","2015","17","10","2518","2521","10.1021/acs.orglett.5b01052","","","0.71073","","","0.0899","0.0572","","","0.1118","0.1245","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555039","10.896","0.004","11.118","0.005","11.442","0.004","109.812","0.005","100.766","0.0013","111.223","0.006","1137.4","0.8","293","2","293","2","","","","","","","see text","3","P -1","-P 1","2","","","","- C26 H28 O5 -","- C26 H28 O5 -","- C52 H56 O10 -","2","1","","Naresh, Gunaganti; Kant, Ruchir; Narender, Tadigoppula","Silver(I)-Catalyzed Regioselective Construction of Highly Substituted α-Naphthols and Its Application toward Expeditious Synthesis of Lignan Natural Products.","Organic letters","2015","17","14","3446","3449","10.1021/acs.orglett.5b01477","","","0.71075","MoKα","","0.1048","0.0663","","","0.1736","0.1906","","","","","","0.856","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555041","8.428","0.003","11.011","0.003","11.459","0.003","65.415","0.008","87.993","0.015","89.668","0.015","966.4","0.5","293","2","293","2","","","","","","","see text","3","P -1","-P 1","2","","","","- C23 H24 O3 -","- C23 H24 O3 -","- C46 H48 O6 -","2","1","","Naresh, Gunaganti; Kant, Ruchir; Narender, Tadigoppula","Silver(I)-Catalyzed Regioselective Construction of Highly Substituted α-Naphthols and Its Application toward Expeditious Synthesis of Lignan Natural Products.","Organic letters","2015","17","14","3446","3449","10.1021/acs.orglett.5b01477","","","0.71075","MoKα","","0.1148","0.0724","","","0.2165","0.2395","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555044","22.265","0.003","7.7011","0.001","12.8529","0.0015","90","","102.095","0.003","90","","2154.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H36 O4 Si -","- C21 H36 O4 Si -","- C84 H144 O16 Si4 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0708","0.0584","","","0.153","0.1604","","","","","","1.097","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555045","12.324","0.001","7.8713","0.0006","10.6532","0.0008","90","","92.217","0.001","90","","1032.65","0.14","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0541","0.0451","","","0.1254","0.1336","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555051","8.9128","0.0003","10.9914","0.0003","20.184","0.0006","91.339","0.001","96.624","0.001","104.357","0.001","1899.99","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H55 N O7 Si2 -","- C36 H55 N O7 Si2 -","- C72 H110 N2 O14 Si4 -","2","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0401","0.0332","","","0.0911","0.1005","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555052","7.3936","0.0009","10.5735","0.0012","17.817","0.002","90","","90","","90","","1392.9","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0452","0.04","","","0.0951","0.0993","","","","","","1.084","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555053","16.4753","0.0003","10.1532","0.0002","13.8282","0.0003","90","","98.669","0.001","90","","2286.71","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 O5 S -","- C21 H38 O5 S -","- C84 H152 O20 S4 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0667","0.0534","","","0.184","0.2002","","","","","","1.073","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555059","8.5281","0.0002","18.7862","0.0005","9.5185","0.0003","90","","100.368","0.001","90","","1500.07","0.07","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0548","0.0389","","","0.0963","0.11","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555060","6.9082","0.0001","11.2913","0.0002","19.3834","0.0003","90","","91.357","0.001","90","","1511.53","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","2","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","1.54178","CuKα","","0.0501","0.0455","","","0.1313","0.1377","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555061","10.6177","0.0009","21.038","0.003","26.249","0.002","90","","90","","90","","5863.4","1.1","175","","175","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H22 Cl2 N4 O4 -","- C34 H22 Cl2 N4 O4 -","- C272 H176 Cl16 N32 O32 -","8","1","","Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion","Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.","Organic letters","2015","17","14","3494","3497","10.1021/acs.orglett.5b01576","","","0.71073","MoKα","","0.188","0.078","","0.0928","0.0458","0.0458","","","","","","1.0968","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555077","10.6627","0.0003","10.6627","0.0003","29.5381","0.0018","90","","90","","90","","3358.3","0.2","175","","175","","","","","","","","","5","P 43","P 4cw","78","","","","- C30 H22 Cl2 N4 O12 -","- C30 H22 Cl2 N4 O12 -","- C120 H88 Cl8 N16 O48 -","4","1","","Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion","Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.","Organic letters","2015","17","14","3494","3497","10.1021/acs.orglett.5b01576","","","0.71073","MoKα","","0.0899","0.0713","","0.0978","0.0848","0.0848","","","","","","1.1026","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555078","12.1779","0.0011","21.8512","0.0015","21.9539","0.0015","60.52","0.007","87.603","0.006","86.921","0.007","5077.5","0.8","175","","175","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 I4 O4 -","- C28.6667 H18.6667 I4 O4 -","- C172 H112 I24 O24 -","6","3","","Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion","Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.","Organic letters","2015","17","14","3494","3497","10.1021/acs.orglett.5b01576","","","0.71073","MoKα","","0.1383","0.1138","","0.1501","0.1235","0.1235","","","","","","1.1","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1555080","13.2235","0.0013","24.195","0.002","10.2868","0.0012","90","","110.556","0.011","90","","3081.6","0.6","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cl2 O4 -","- C38 H26 Cl2 O4 -","- C152 H104 Cl8 O16 -","4","1","","Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion","Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.","Organic letters","2015","17","14","3494","3497","10.1021/acs.orglett.5b01576","","","0.71073","MoKα","","0.0867","0.0653","","0.0675","0.0613","0.0613","","","","","","1.1873","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555083","8.2569","0.0002","11.0688","0.0002","20.1396","0.0004","90","","95.9683","0.0011","90","","1830.66","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SKL-20150324","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C76 H84 N4 O16 S4 -","4","1","","Jung, Da Jung; Jeon, Hyun Ji; Lee, Joo Hyun; Lee, Sang-gi","Cu(I)/Rh(II)-Catalyzed Tandem Convergent Multicomponent Reaction for the Regio- and Stereocontrolled Synthesis of γ-Oxo-β-amino Esters.","Organic letters","2015","17","14","3498","3501","10.1021/acs.orglett.5b01587","","","0.71073","","","0.0636","0.0461","","","0.1072","0.1168","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555086","10.98","0.002","21.409","0.004","11.347","0.002","90","","104.07","0.03","90","","2587.3","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C108 H108 N4 O20 S4 -","4","1","","Jung, Da Jung; Jeon, Hyun Ji; Lee, Joo Hyun; Lee, Sang-gi","Cu(I)/Rh(II)-Catalyzed Tandem Convergent Multicomponent Reaction for the Regio- and Stereocontrolled Synthesis of γ-Oxo-β-amino Esters.","Organic letters","2015","17","14","3498","3501","10.1021/acs.orglett.5b01587","","","0.71073","MoKα","","0.0544","0.0403","","","0.1108","0.1178","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555089","8.6263","0.0009","12.097","0.002","16.023","0.006","107.86","0.03","95.73","0.03","104.279","0.013","1514.1","0.7","291","2","291.15","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 P2 -","- C38 H34 P2 -","- C76 H68 P4 -","2","1","","Hu, Zhengsong; Li, Zongyang; Zhao, Kang; Tian, Rongqiang; Duan, Zheng; Mathey, François","Reaction of Phospholes with Aldimines: A One-Step Synthesis of Chelating, Alpha-C2-Bridged Biphospholes.","Organic letters","2015","17","14","3518","3520","10.1021/acs.orglett.5b01604","","","1.54184","CuKα","","0.0461","0.0393","","","0.1078","0.1148","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555090","14.7596","0.0008","10.4392","0.0006","17.7877","0.0005","90","","105.924","0.004","90","","2635.5","0.2","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 O P2 -","- C32 H32 O P2 -","- C128 H128 O4 P8 -","4","1","","Hu, Zhengsong; Li, Zongyang; Zhao, Kang; Tian, Rongqiang; Duan, Zheng; Mathey, François","Reaction of Phospholes with Aldimines: A One-Step Synthesis of Chelating, Alpha-C2-Bridged Biphospholes.","Organic letters","2015","17","14","3518","3520","10.1021/acs.orglett.5b01604","","","1.54184","CuKα","","0.0487","0.0409","","","0.1107","0.1173","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555091","12.58","0.005","15.83","0.005","8.839","0.005","90","0.005","109.551","0.005","90","0.005","1658.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Ren, Wenlong; Chang, Wenju; Wang, Yang; Li, Jingfu; Shi, Yian","Pd-Catalyzed Regiodivergent Hydroesterification of Aryl Olefins with Phenyl Formate.","Organic letters","2015","17","14","3544","3547","10.1021/acs.orglett.5b01630","","","0.71069","MoKα","","0.173","0.0912","","","0.259","0.326","","","","","","0.996","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555095","17.095","0.003","5.874","0.0012","15.476","0.003","90","","106","0.03","90","","1493.8","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Ren, Wenlong; Chang, Wenju; Wang, Yang; Li, Jingfu; Shi, Yian","Pd-Catalyzed Regiodivergent Hydroesterification of Aryl Olefins with Phenyl Formate.","Organic letters","2015","17","14","3544","3547","10.1021/acs.orglett.5b01630","","","0.71073","MoKα","","0.0778","0.051","","","0.1258","0.1435","","","","","","1.004","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555096","8.885","0.0008","11.599","0.001","11.638","0.0011","87.07","0.002","72.279","0.001","76.183","0.002","1109.11","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Cl I3 N O2 -","- C21 H13 Cl I3 N O2 -","- C42 H26 Cl2 I6 N2 O4 -","2","1","","Zhang, Xue; Feng, Chengjie; Jiang, Tao; Li, Yifei; Pan, Ling; Xu, Xianxiu","Expedient and Divergent Tandem One-Pot Synthesis of Benz[e]indole and Spiro[indene-1,3'-pyrrole] Derivatives from Alkyne-Tethered Chalcones/Cinnamates and TosMIC.","Organic letters","2015","17","14","3576","3579","10.1021/acs.orglett.5b01676","","","0.71069","MoKα","","0.0387","0.0313","","","0.0871","0.0911","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555100","11.057","0.003","13.631","0.003","13.716","0.003","90","","110.38","0.003","90","","1937.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl I N O2 -","- C21 H15 Cl I N O2 -","- C84 H60 Cl4 I4 N4 O8 -","4","1","","Zhang, Xue; Feng, Chengjie; Jiang, Tao; Li, Yifei; Pan, Ling; Xu, Xianxiu","Expedient and Divergent Tandem One-Pot Synthesis of Benz[e]indole and Spiro[indene-1,3'-pyrrole] Derivatives from Alkyne-Tethered Chalcones/Cinnamates and TosMIC.","Organic letters","2015","17","14","3576","3579","10.1021/acs.orglett.5b01676","","","0.71069","MoKα","","0.0906","0.043","","","0.0857","0.1","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555102","9.1622","0.0018","9.508","0.002","10.568","0.002","83","0.016","65.519","0.019","78.417","0.018","820","0.3","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O -","- C22 H22 O -","- C44 H44 O2 -","2","1","","Manojveer, Seetharaman; Balamurugan, Rengarajan","In Situ Formed Acetal-Facilitated Synthesis of Substituted Indene Derivatives from o-Alkenylbenzaldehydes.","Organic letters","2015","17","14","3600","3603","10.1021/acs.orglett.5b01695","","","0.71073","MoKα","","0.0795","0.0502","","","0.1132","0.1293","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555105","10.571","0.006","5.838","0.003","12.338","0.007","90","","90","","90","","761.4","0.7","291","2","291","2","","","","","","","see text","3","P c a 21","P 2c -2ac","29","","(3a<i>R</i>,3b<i>R</i>,6a<i>S</i>,7a<i>R</i>)-hexahydrodifuro[2,3-<i>b</i>:3',2'-<i>d</i>]furan-2(3<i>H</i>)-one","","- C8 H10 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.71073","MoKa","","0.0623","0.058","","","0.1408","0.144","","","","","","1.122","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555106","37.2102","0.0015","18.06","0.0005","6.8155","0.0003","90","","90","","90","","4580.1","0.3","291","2","291","2","","","","","","","see text","3","F d d 2","F 2 -2d","43","","(1S,2S,3R,7R,9S,11R,13S,17R)-6,8,10,12,14- pentaoxapentacyclo[9.6.0.0^2,9^.0^3,7^.0^13,17^]heptadecan-5-one","","- C12 H14 O6 -","- C12 H14 O6 -","- C192 H224 O96 -","16","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","1.5418","CuKα","","0.0414","0.0391","","","0.1012","0.1035","","","","","","1.06","","","","has coordinates,has disorder","238325","2020-10-21","18:00:00",""
"1555107","8.8394","0.001","8.5924","0.001","23.437","0.003","90","","90","","90","","1780.1","0.4","291","2","291","2","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","(1R*,5S*,8S*)-4,6-Dioxatricyclo[6.4.0.0^1,5^]dodec-10-en-7-one","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.71073","MoKa","","0.0796","0.0696","","","0.1582","0.1644","","","","","","1.22","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555108","6.345","0.001","8.9881","0.0015","15.108","0.003","90","","90","","90","","861.6","0.3","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R,6R,8S)-5,7,9-trioxatricyclo[6.4.0.0^2,6^]dodecan-4-one","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.71073","MoKa","","0.0357","0.0346","","","0.0865","0.0875","","","","","","1.082","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555109","5.3883","0.0011","12.812","0.002","6.0438","0.0013","90","","114.32","0.03","90","","380.21","0.16","291","2","291","2","","","","","","","see text","3","P 1 21 1","P 2yb","4","","(1S,2R,6R,8R)-5,7,9-trioxatricyclo[6.3.0.0^2,6^]undecan-4-one","","- C8 H10 O4 -","- C8 H10 O4 -","- C16 H20 O8 -","2","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.7107","MoKα","","0.0459","0.043","","","0.1133","0.1164","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555112","7.4987","0.0002","12.2482","0.0003","16.8063","0.0003","90","","90","","90","","1543.58","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arboridinine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Wong, Suet-Pick; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok","Arboridinine, a Pentacyclic Indole Alkaloid with a New Cage Carbon-Nitrogen Skeleton Derived from a Pericine Precursor.","Organic letters","2015","17","14","3628","3631","10.1021/acs.orglett.5b01757","","","0.71073","MoKα","","0.033","0.0314","","","0.0864","0.088","","","","","","1.09","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555114","8.6291","0.0003","9.4332","0.0003","12.4474","0.0004","82.659","0.003","70.506","0.003","68.236","0.003","887.04","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H23 N O5 S -","- C18 H23 N O5 S -","- C36 H46 N2 O10 S2 -","2","2","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes.","Organic letters","2015","17","14","3632","3635","10.1021/acs.orglett.5b01777","","x-ray","1.54184","CuKα","","0.0445","0.0436","","","0.1158","0.1167","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555119","6.70613","0.00009","8.92562","0.00011","21.9646","0.0003","90","","91.7362","0.0013","90","","1314.12","0.03","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 F N2 O4 S -","- C12 H15 F N2 O4 S -","- C48 H60 F4 N8 O16 S4 -","4","1","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes.","Organic letters","2015","17","14","3632","3635","10.1021/acs.orglett.5b01777","","x-ray","1.54184","CuKα","","0.0417","0.0402","","","0.1091","0.1104","","","","","","1.112","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555122","15.2033","0.0005","5.10542","0.00013","15.6074","0.0006","90","","108.006","0.004","90","","1152.1","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C44 H56 N8 O8 S4 -","4","1","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes.","Organic letters","2015","17","14","3632","3635","10.1021/acs.orglett.5b01777","","x-ray","1.54184","CuKα","","0.0413","0.0372","","","0.1042","0.1081","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555124","8.236","0.0002","21.1919","0.0005","8.4904","0.0002","90","","103.856","0.003","90","","1438.76","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O2 S -","- C16 H16 N2 O2 S -","- C64 H64 N8 O8 S4 -","4","1","","Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael","Generation and Ring Opening of Aziridines in Telescoped Continuous Flow Processes.","Organic letters","2015","17","14","3632","3635","10.1021/acs.orglett.5b01777","","x-ray","1.54184","CuKα","","0.0581","0.0448","","","0.1168","0.1278","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555126","7.789","0.002","11.669","0.003","15.029","0.004","90","","90","","90","","1366","0.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C52 H76 N4 O12 S4 -","4","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0361","0.0357","","","0.0838","0.084","","","","","","1.187","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555128","9.24","0.005","6.262","0.003","14.504","0.008","90","","91.561","0.009","90","","838.9","0.8","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H17 Br Cl N O4 S -","- C14 H17 Br Cl N O4 S -","- C28 H34 Br2 Cl2 N2 O8 S2 -","2","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0285","0.0276","","","0.0644","0.0647","","","","","","1.105","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555130","14.656","0.003","10.051","0.002","14.998","0.003","90","","104.87","0.03","90","","2135.3","0.8","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Br N O4 S -","- C20 H24 Br N O4 S -","- C80 H96 Br4 N4 O16 S4 -","4","2","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0703","0.0597","","","0.127","0.1338","","","","","","1.132","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555133","6.4495","0.0013","15.276","0.003","8.0516","0.0016","90","","96.47","0.03","90","","788.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br N O4 S -","- C14 H18 Br N O4 S -","- C28 H36 Br2 N2 O8 S2 -","2","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0253","0.0246","","","0.0605","0.061","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555134","7.6751","0.0015","12.59","0.003","22.275","0.005","90","","90","","90","","2152.4","0.8","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br Cl N O4 S -","- C20 H23 Br Cl N O4 S -","- C80 H92 Br4 Cl4 N4 O16 S4 -","4","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0369","0.034","","","0.0661","0.0674","","","","","","1.109","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555135","11.0456","0.0007","12.0988","0.0008","14.8761","0.001","68.867","0.001","70.725","0.001","86.448","0.001","1746.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 N O4 S2 -","- C40 H41 N O4 S2 -","- C80 H82 N2 O8 S4 -","2","1","","Ding, Ran; Zheng, Bo; Wang, Yan; Peng, Yungui","A Cation-Directed Enantioselective Sulfur-Mediated Michael/Mannich Three-Component Domino Reaction involving Chalcones as Michael Acceptors.","Organic letters","2015","17","17","4128","4131","10.1021/acs.orglett.5b01833","","","0.71073","MoKα","","0.0484","0.0413","","","0.13","0.1559","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555148","11.13642","0.00007","14.74032","0.00008","46.2616","0.0003","90","","90","","90","","7594.04","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 N O3 S2 -","- C43 H48 N O3 S2 -","- C344 H384 N8 O24 S16 -","8","2","","Ding, Ran; Zheng, Bo; Wang, Yan; Peng, Yungui","A Cation-Directed Enantioselective Sulfur-Mediated Michael/Mannich Three-Component Domino Reaction involving Chalcones as Michael Acceptors.","Organic letters","2015","17","17","4128","4131","10.1021/acs.orglett.5b01833","","","1.54184","CuKα","","0.0459","0.0455","","","0.1247","0.125","","","","","","1.059","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555149","4.888","0.001","9.8","0.002","18.388","0.004","90","","90","","90","","880.8","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C32 H32 N8 O16 -","4","1","","Salahifar, Eslam; Nematollahi, Davood; Bayat, Mehdi; Mahyari, Amir; Amiri Rudbari, Hadi","Regioselective Green Electrochemical Approach to the Synthesis of Nitroacetaminophen Derivatives.","Organic letters","2015","17","19","4666","4669","10.1021/acs.orglett.5b01837","","","0.71073","MoKα","","0.0506","0.029","","","0.0558","0.06","","","","","","0.808","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555151","9.1308","0.0009","14.0389","0.0016","14.7904","0.0017","90","","106.943","0.002","90","","1813.6","0.3","294","1","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-tert-butyl-5-((4-methylphenyl)(phenyl)methylene) -4,5-dihydrooxazole","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Sinai, Ádám; Vangel, Dóra; Gáti, Tamás; Bombicz, Petra; Novák, Zoltán","Utilization of Copper-Catalyzed Carboarylation-Ring Closure for the Synthesis of New Oxazoline Derivatives.","Organic letters","2015","17","17","4136","4139","10.1021/acs.orglett.5b01860","","","0.71073","MoKα","","0.1242","0.0694","","","0.1791","0.2182","","","","","","0.996","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555154","15.4081","0.0005","7.7461","0.0003","19.9246","0.0006","90","","98.208","0.003","90","","2353.69","0.14","571","2","571","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Cl N2 -","- C14 H11 Cl N2 -","- C112 H88 Cl8 N16 -","8","2","","Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines.","Organic letters","2015","17","16","3998","4001","10.1021/acs.orglett.5b01868","","","1.54178","CuKα","","0.0577","0.0522","","","0.1478","0.1562","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555155","11.949","0.002","8.5662","0.0017","17.479","0.003","90","","103.621","0.002","90","","1738.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N2 O P -","- C19 H14 Cl N2 O P -","- C76 H56 Cl4 N8 O4 P4 -","4","1","","Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines.","Organic letters","2015","17","16","3998","4001","10.1021/acs.orglett.5b01868","","","0.71073","MoKα","","0.0374","0.0335","","","0.0895","0.0933","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555158","11.4945","0.0005","7.5152","0.0004","17.4299","0.0009","90","","90","","90","","1505.66","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H3 Cl2 N2 -","- C7 H4 Cl2 N2 -","- C56 H32 Cl16 N16 -","8","1","","Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines.","Organic letters","2015","17","16","3998","4001","10.1021/acs.orglett.5b01868","","","1.54178","CuKα","","0.0457","0.0372","","","0.0946","0.1032","","","","","","1.056","","","","has coordinates","238355","2020-10-21","18:00:00",""
"1555161","8.759","0.0018","21.523","0.004","10.067","0.002","90","","104.55","0.03","90","","1837","0.7","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C92 H96 O16 -","4","1","","Ma, Weiwei; Fang, Jie; Ren, Jun; Wang, Zhongwen","Lewis Acid Catalyzed Formal Intramolecular [3 + 3] Cross-Cycloaddition of Cyclopropane 1,1-Diesters for Construction of Benzobicyclo[2.2.2]octane Skeletons.","Organic letters","2015","17","17","4180","4183","10.1021/acs.orglett.5b01927","","","0.71073","MoKα","","0.0748","0.0485","","","0.1113","0.1233","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555162","7.7505","0.0016","21.813","0.004","9.5132","0.0019","90","","94.65","0.03","90","","1603","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C72 H80 O24 -","4","1","","Ma, Weiwei; Fang, Jie; Ren, Jun; Wang, Zhongwen","Lewis Acid Catalyzed Formal Intramolecular [3 + 3] Cross-Cycloaddition of Cyclopropane 1,1-Diesters for Construction of Benzobicyclo[2.2.2]octane Skeletons.","Organic letters","2015","17","17","4180","4183","10.1021/acs.orglett.5b01927","","","0.71073","MoKα","","0.0501","0.04","","","0.1076","0.1153","","","","","","1.082","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555163","16.298","0.003","11.852","0.002","9.939","0.002","90","","90.99","0.03","90","","1919.6","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H16 Cl1.5 N2 O3 -","- C16.5 H16 Cl1.5 N2 O3 -","- C66 H64 Cl6 N8 O12 -","4","1","","Ma, Weiwei; Fang, Jie; Ren, Jun; Wang, Zhongwen","Lewis Acid Catalyzed Formal Intramolecular [3 + 3] Cross-Cycloaddition of Cyclopropane 1,1-Diesters for Construction of Benzobicyclo[2.2.2]octane Skeletons.","Organic letters","2015","17","17","4180","4183","10.1021/acs.orglett.5b01927","","","0.71073","MoKα","","0.1439","0.1147","","","0.3265","0.3439","","","","","","1.12","","","","has coordinates,has disorder","238359","2020-10-21","18:00:00",""
"1555165","11.48","0.002","10.279","0.002","26.181","0.005","90","","90","","90","","3089.4","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Br O5 -","- C17 H17 Br O5 -","- C136 H136 Br8 O40 -","8","1","","Wang, Zhenjun; Chen, Shuai; Ren, Jun; Wang, Zhongwen","Cooperative Photo-/Lewis Acid Catalyzed Tandem Intramolecular [3 + 2] Cross-Cycloadditions of Cyclopropane 1,1-Diesters with α,β-Unsaturated Carbonyls for Medium-Sized Carbocycles.","Organic letters","2015","17","17","4184","4187","10.1021/acs.orglett.5b01928","","","0.71073","MoKα","","0.0493","0.0384","","","0.1015","0.1085","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555167","10.526","0.002","19.394","0.004","7.8119","0.0016","90","","96.58","0.03","90","","1584.2","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","","Wang, Zhenjun; Chen, Shuai; Ren, Jun; Wang, Zhongwen","Cooperative Photo-/Lewis Acid Catalyzed Tandem Intramolecular [3 + 2] Cross-Cycloadditions of Cyclopropane 1,1-Diesters with α,β-Unsaturated Carbonyls for Medium-Sized Carbocycles.","Organic letters","2015","17","17","4184","4187","10.1021/acs.orglett.5b01928","","","0.71073","MoKα","","0.0501","0.0429","","","0.1054","0.1107","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555170","9.136","0.0003","10.6809","0.0003","42.2825","0.0012","90","","90","","90","","4126","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O7 -","- C22 H26 O7 -","- C176 H208 O56 -","8","2","","Bera, Srikrishna; Daniliuc, Constantin G.; Studer, Armido","Enantioselective Synthesis of Substituted δ-Lactones by Cooperative Oxidative N-Heterocyclic Carbene and Lewis Acid Catalysis.","Organic letters","2015","17","20","4940","4943","10.1021/acs.orglett.5b01932","","","1.54178","CuKα","","0.0231","0.0227","","","0.0585","0.0589","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555171","8.5586","0.0003","9.2119","0.0003","27.3349","0.0008","90","","90","","90","","2155.11","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","","Bera, Srikrishna; Daniliuc, Constantin G.; Studer, Armido","Enantioselective Synthesis of Substituted δ-Lactones by Cooperative Oxidative N-Heterocyclic Carbene and Lewis Acid Catalysis.","Organic letters","2015","17","20","4940","4943","10.1021/acs.orglett.5b01932","","","1.54178","CuKα","","0.0631","0.0618","","","0.1241","0.1245","","","","","","1.358","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555172","11.4637","0.0005","45.4434","0.0019","12.0124","0.0006","90","","116.324","0.002","90","","5608.9","0.5","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 N2 O6 -","- C34 H30 N2 O6 -","- C272 H240 N16 O48 -","8","2","","Yan, Jianming; Tay, Guan Liang; Neo, Cuien; Lee, Bo Ra; Chan, Philip Wai Hong","Gold-Catalyzed Cycloisomerization and Diels-Alder Reaction of 1,6-Diyne Esters with Alkenes and Diazenes to Hydronaphthalenes and -cinnolines.","Organic letters","2015","17","17","4176","4179","10.1021/acs.orglett.5b01935","","","0.71073","MoKα","","0.1184","0.0647","","","0.1358","0.1555","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555175","9.141","0.006","10.706","0.009","12.0986","0.001","73.26","0.03","68.76","0.03","72.31","0.04","1030.1","1.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N4 O5 -","- C26 H18 N4 O5 -","- C52 H36 N8 O10 -","2","1","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Copper-Mediated Oxidative Coupling of Benzamides with Maleimides via Directed C-H Cleavage.","Organic letters","2015","17","16","4034","4037","10.1021/acs.orglett.5b01940","","","0.71075","MoKα","","","0.0496","","","","0.1505","","","","","","0.801","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555177","16.334","0.009","13.572","0.007","7.87","0.005","90","","104.13","0.03","90","","1691.9","1.7","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","1","","Miura, Wataru; Hirano, Koji; Miura, Masahiro","Copper-Mediated Oxidative Coupling of Benzamides with Maleimides via Directed C-H Cleavage.","Organic letters","2015","17","16","4034","4037","10.1021/acs.orglett.5b01940","","","0.71075","MoKα","","","0.0435","","","","0.1107","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555181","8.3103","0.0004","22.0934","0.001","11.8386","0.0006","90","","104.267","0.005","90","","2106.56","0.18","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N2 O2 S2 -","- C24 H19 N2 O2 S2 -","- C96 H76 N8 O8 S8 -","4","1","","Chen, Xiang; Zhang, Jun-Qi; Yin, Shao-Jie; Li, Hai-Yan; Zhou, Wei-Qun; Wang, Xing-Wang","Asymmetric Construction of Spiro[thiopyranoindole-benzoisothiazole] Scaffold via a Formal [3 + 3] Spiroannulation.","Organic letters","2015","17","17","4188","4191","10.1021/acs.orglett.5b01951","","","0.71073","MoKα","","0.0538","0.0406","","","0.1001","0.1064","","","","","","1.05","","","","has coordinates","238372","2020-10-21","18:00:00",""
"1555183","12.652","0.002","19.153","0.004","22.403","0.004","90","","90","","90","","5428.8","1.7","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H38 Cl2 N4 O4 S4 -","- C48 H38 Cl2 N4 O4 S4 -","- C192 H152 Cl8 N16 O16 S16 -","4","1","","Chen, Xiang; Zhang, Jun-Qi; Yin, Shao-Jie; Li, Hai-Yan; Zhou, Wei-Qun; Wang, Xing-Wang","Asymmetric Construction of Spiro[thiopyranoindole-benzoisothiazole] Scaffold via a Formal [3 + 3] Spiroannulation.","Organic letters","2015","17","17","4188","4191","10.1021/acs.orglett.5b01951","","","0.71073","MoKα","","0.1102","0.0573","","","0.1242","0.1396","","","","","","0.868","","","","has coordinates","238374","2020-10-21","18:00:00",""
"1555187","6.1472","0.0015","11.724","0.003","27.834","0.007","90","","90","","90","","2006","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl2 N O2 S -","- C19 H21 Cl2 N O2 S -","- C76 H84 Cl8 N4 O8 S4 -","4","1","","Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines.","Organic letters","2015","17","16","4042","4045","10.1021/acs.orglett.5b01954","","","0.71073","MoKα","","0.0396","0.0323","","","0.0782","0.0828","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555188","10.133","0.003","9.753","0.003","19.638","0.005","90","","100.289","0.004","90","","1909.6","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl N O2 S -","- C19 H20 Cl N O2 S -","- C76 H80 Cl4 N4 O8 S4 -","4","2","","Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines.","Organic letters","2015","17","16","4042","4045","10.1021/acs.orglett.5b01954","","","0.71073","MoKα","","0.126","0.0596","","","0.0957","0.12","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555192","8.434","0.006","9.511","0.007","23.843","0.016","90","","90","","90","","1913","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl N O2 S -","- C19 H20 Cl N O2 S -","- C76 H80 Cl4 N4 O8 S4 -","4","1","","Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines.","Organic letters","2015","17","16","4042","4045","10.1021/acs.orglett.5b01954","","","0.71073","MoKα","","0.1328","0.0515","","","0.0798","0.1024","","","","","","0.996","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555194","7.2944","0.0019","14.078","0.004","19.047","0.006","90","","90","","90","","1955.9","1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O -","- C25 H19 N3 O -","- C100 H76 N12 O4 -","4","1","","Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Formal [4 + 1] Cycloaddition of Benzamides and Isonitriles via Directed C-H Cleavage.","Organic letters","2015","17","16","4066","4069","10.1021/acs.orglett.5b01986","","","0.71075","MoKα","","","0.0765","","","","0.1834","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555196","12.7097","0.0009","15.6515","0.0013","17.3613","0.0014","90","","90","","90","","3453.6","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Formal [4 + 1] Cycloaddition of Benzamides and Isonitriles via Directed C-H Cleavage.","Organic letters","2015","17","16","4066","4069","10.1021/acs.orglett.5b01986","","","0.71075","MoKα","","","0.0446","","","","0.1156","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555197","9.7492","0.0019","10.793","0.002","12.316","0.003","106.75","0.03","97.22","0.03","95.45","0.03","1219.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H34 N4 O9 -","- C22 H34 N4 O9 -","- C44 H68 N8 O18 -","2","1","","Jia, Yan-Lai; Wei, Mei-Yan; Chen, Hai-Yan; Guan, Fei-Fei; Wang, Chang-Yun; Shao, Chang-Lun","(+)- and (-)-Pestaloxazine A, a Pair of Antiviral Enantiomeric Alkaloid Dimers with a Symmetric Spiro[oxazinane-piperazinedione] Skeleton from Pestalotiopsis sp.","Organic letters","2015","17","17","4216","4219","10.1021/acs.orglett.5b01995","","","0.71073","MoKα","","0.0756","0.0473","","","0.0894","0.101","","","","","","1.01","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555206","9.0718","0.0018","20.806","0.004","12.975","0.003","90","","107.07","0.03","90","","2341.1","0.9","173.15","","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H24 N4 O4 -","- C26 H24 N4 O4 -","- C104 H96 N16 O16 -","4","1","","Liu, Honglei; Yuan, Chunhao; Wu, Yang; Xiao, Yumei; Guo, Hongchao","Sc(OTf)3-Catalyzed [3 + 3] Cycloaddition of Cyclopropane 1,1-Diesters with Phthalazinium Dicyanomethanides.","Organic letters","2015","17","17","4220","4223","10.1021/acs.orglett.5b02003","","","0.71073","MoKα","","0.0391","0.0363","","","0.0758","0.0776","","","","","","1.103","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555207","9.9256","0.0003","11.9918","0.0003","12.9082","0.0004","90.335","0.0017","100.557","0.0017","103.488","0.0017","1466.85","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H22 F6 -","- C42 H22 F6 -","- C84 H44 F12 -","2","1","","Rao, M. Rajeswara; Black, Hayden T.; Perepichka, Dmitrii F.","Synthesis and Divergent Electronic Properties of Two Ring-Fused Derivatives of 9,10-Diphenylanthracene.","Organic letters","2015","17","17","4224","4227","10.1021/acs.orglett.5b02009","","x-ray","1.54178","CuKα","","0.0429","0.0387","","","0.1033","0.1075","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555208","9.5341","0.0002","17.1742","0.0004","34.8068","0.0007","90","","90","","90","","5699.3","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H22 F6 -","- C42 H22 F6 -","- C336 H176 F48 -","8","1","","Rao, M. Rajeswara; Black, Hayden T.; Perepichka, Dmitrii F.","Synthesis and Divergent Electronic Properties of Two Ring-Fused Derivatives of 9,10-Diphenylanthracene.","Organic letters","2015","17","17","4224","4227","10.1021/acs.orglett.5b02009","","x-ray","1.54178","CuKα","","0.0436","0.0363","","","0.0954","0.1011","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555211","18.5406","0.0005","18.5406","0.0005","21.1268","0.001","90","","90","","90","","7262.4","0.4","115","3","115","3","","","","","","","","6","P 43","P 4cw","78","","","","- C65 H65 Cl3 N4 O6 Zn -","- C65 H65 Cl3 N4 O6 Zn -","- C260 H260 Cl12 N16 O24 Zn4 -","4","1","","Zhou, Zaichun; Zhou, Xiaochun; Liu, Qiuhua; Zhang, Xi; Liu, Haomin","Fixation of Zinc(II) Ion to Dioxygen in a Highly Deformed Porphyrin: Implications for the Oxygen Carrier Mechanism of Distorted Heme.","Organic letters","2015","17","16","4078","4081","10.1021/acs.orglett.5b02010","","","1.54184","CuKα","","0.1261","0.0929","","","0.2435","0.273","","","","","","0.928","","","","has coordinates","238391","2020-10-21","18:00:00",""
"1555213","39.3331","0.0014","14.7758","0.0005","28.6914","0.0009","90","","131.696","0.002","90","","12450.8","0.8","112.8","0.3","112.8","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H77 Cl1.5 N4 O5 Zn -","- C70 H77 Cl1.5 N4 O5 Zn -","- C560 H616 Cl12 N32 O40 Zn8 -","8","1","","Zhou, Zaichun; Zhou, Xiaochun; Liu, Qiuhua; Zhang, Xi; Liu, Haomin","Fixation of Zinc(II) Ion to Dioxygen in a Highly Deformed Porphyrin: Implications for the Oxygen Carrier Mechanism of Distorted Heme.","Organic letters","2015","17","16","4078","4081","10.1021/acs.orglett.5b02010","","","1.54184","CuKα","","0.0911","0.0644","","","0.1645","0.1817","","","","","","1.06","","","","has coordinates","238393","2020-10-21","18:00:00",""
"1555214","16.9996","0.0005","24.3355","0.0006","32.7331","0.0008","89.3681","0.0019","83.194","0.002","89.522","0.002","13444.9","0.6","115","4","115","4","","","","","","","","5","P -1","-P 1","2","","","","- C67 H71 N4 O5 Zn -","- C67 H72 N4 O5 Zn -","- C536 H576 N32 O40 Zn8 -","8","4","","Zhou, Zaichun; Zhou, Xiaochun; Liu, Qiuhua; Zhang, Xi; Liu, Haomin","Fixation of Zinc(II) Ion to Dioxygen in a Highly Deformed Porphyrin: Implications for the Oxygen Carrier Mechanism of Distorted Heme.","Organic letters","2015","17","16","4078","4081","10.1021/acs.orglett.5b02010","","","1.54184","CuKα","","0.1144","0.0831","","","0.2249","0.2456","","","","","","1","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555216","14.857","0.004","12.127","0.003","13.289","0.004","90","","106.898","0.003","90","","2290.9","1.1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C112 H88 N24 -","8","1","","Jia, Feng-Cheng; Zhou, Zhi-Wen; Xu, Cheng; Cai, Qun; Li, Deng-Kui; Wu, An-Xin","Expeditious Synthesis of 2-Phenylquinazolin-4-amines via a Fe/Cu Relay-Catalyzed Domino Strategy.","Organic letters","2015","17","17","4236","4239","10.1021/acs.orglett.5b02020","","","0.71073","MoKα","","0.0443","0.0421","","","0.1175","0.1202","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555218","9.07268","0.00016","11.9732","0.0002","13.4535","0.0003","90","","106.945","0.0007","90","","1397.99","0.05","165","","165","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H23 Cl3 N2 O2 -","- C33 H23 Cl3 N2 O2 -","- C66 H46 Cl6 N4 O4 -","2","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","1.54187","CuKα","","0.0303","0.0271","","","0.0631","0.0669","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555219","11.4574","0.0002","24.0028","0.0004","9.1294","0.0001","90","","90","","90","","2510.67","0.07","165","","165","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C32.5 H26 N2 O3.5 -","- C32.5 H26 N2 O3.5 -","- C130 H104 N8 O14 -","4","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","1.54187","CuKα","","0.1111","0.0853","","","0.2206","0.2499","","","","","","1.136","","","","has coordinates","238399","2020-10-21","18:00:00",""
"1555220","11.1679","0.0002","24.1852","0.0005","9.1499","0.0002","90","","90","","90","","2471.37","0.09","90","","90","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C136 H96 O8 -","4","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","0.71073","MoKα","","0.0599","0.0461","","","0.0968","0.1038","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555221","10.41941","0.00001","18.297","0.0002","36.8632","0.0005","90","","90","","90","","7027.75","0.12","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22.67 N2 O2.33 -","- C32 H22.6193 N2 O2.33333 -","- C384 H271.432 N24 O28 -","12","3","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","0.71073","MoKα","","0.0594","0.0406","","","0.0937","0.1041","","","","","","1.044","","","","has coordinates,has disorder","238401","2020-10-21","18:00:00",""
"1555222","7.9491","0.0005","16.7592","0.001","18.1848","0.001","90","","90","","90","","2422.6","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","0.71073","MoKα","","0.0357","0.0347","","","0.076","0.0766","","","","","","1.095","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555223","16.057","0.004","18.336","0.005","18.879","0.005","79.909","0.013","74.398","0.012","79.264","0.013","5214","2","152","2","152","2","","","","","","","","7","P -1","-P 1","2","","","","- C245 H138 Cl10 F24 N8 O32 S8 -","- C245 H138 Cl10 F24 N8 O32 S8 -","- C245 H138 Cl10 F24 N8 O32 S8 -","1","0.5","","Węcławski, Marek K; Meiling, Till T.; Leniak, Arkadiusz; Cywiński, Piotr J; Gryko, Daniel T.","Planar, Fluorescent Push-Pull System That Comprises Benzofuran and Iminocoumarin Moieties.","Organic letters","2015","17","17","4252","4255","10.1021/acs.orglett.5b02042","","","1.54178","CuKα","","0.1395","0.0675","","","0.1941","0.2609","","","","","","1.112","","","","has coordinates,has disorder","238403","2020-10-21","18:00:00",""
"1555224","19.0503","0.0004","11.68507","0.00017","14.8134","0.0003","90","","92.939","0.0019","90","","3293.19","0.11","102.3","","102.3","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N2 O9 -","- C41 H36 N2 O9 -","- C164 H144 N8 O36 -","4","1","","Sai, Chun-Mei; Li, Da-Hong; Xue, Chun-Mei; Wang, Kai-Bo; Hu, Ping; Pei, Yue-Hu; Bai, Jiao; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming","Two Pairs of Enantiomeric Alkaloid Dimers from Macleaya cordata.","Organic letters","2015","17","16","4102","4105","10.1021/acs.orglett.5b02044","","","1.5418","CuKα","","0.0476","0.0404","","","0.0982","0.1033","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555225","13.9815","0.0008","16.6793","0.0006","26.5582","0.0009","90","","90","","90","","6193.4","0.5","217.9","","217.9","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H32 N2 O9 -","- C40 H32 N2 O9 -","- C320 H256 N16 O72 -","8","1","","Sai, Chun-Mei; Li, Da-Hong; Xue, Chun-Mei; Wang, Kai-Bo; Hu, Ping; Pei, Yue-Hu; Bai, Jiao; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming","Two Pairs of Enantiomeric Alkaloid Dimers from Macleaya cordata.","Organic letters","2015","17","16","4102","4105","10.1021/acs.orglett.5b02044","","","0.7107","MoKα","","0.0667","0.0481","","","0.095","0.1037","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555226","8.9629","0.0004","14.1297","0.0008","18.6198","0.0009","90","","90","","90","","2358.1","0.2","295.42","0.1","295.42","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O3 S -","- C28 H24 N2 O3 S -","- C112 H96 N8 O12 S4 -","4","1","","Wang, Linqing; Yang, Dongxu; Li, Dan; Liu, Xihong; Zhao, Qian; Zhu, Ranran; Zhang, Bangzhi; Wang, Rui","Catalytic Asymmetric [3 + 2] Cyclization Reactions of 3-Isothiocyanato Oxindoles and Alkynyl Ketones Via an in Situ Generated Magnesium Catalyst.","Organic letters","2015","17","17","4260","4263","10.1021/acs.orglett.5b02052","","x-ray","0.71073","MoKα","","0.0578","0.0459","","","0.0877","0.0957","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555227","13.4658","0.0003","20.2837","0.0007","19.439","0.0005","90","","100.921","0.002","90","","5213.3","0.3","293.18","0.1","293.18","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 F3 I N O4 S -","- C24 H25 F3 I N O4 S -","- C192 H200 F24 I8 N8 O32 S8 -","8","2","","Wang, Yu-Qi; He, Yu-Tao; Zhang, Lu-Lu; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","Palladium-Catalyzed Radical Cascade Iododifluoromethylation/Cyclization of 1,6-Enynes with Ethyl Difluoroiodoacetate.","Organic letters","2015","17","17","4280","4283","10.1021/acs.orglett.5b02068","","x-ray","0.71073","MoKα","","0.1263","0.06","","","0.1152","0.1529","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555229","12.121","0.0006","15.7186","0.0008","25.7853","0.0011","90","","91.321","0.004","90","","4911.4","0.4","290.92","0.1","290.92","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 F2 I N O4 S -","- C24 H26 F2 I N O4 S -","- C192 H208 F16 I8 N8 O32 S8 -","8","2","","Wang, Yu-Qi; He, Yu-Tao; Zhang, Lu-Lu; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","Palladium-Catalyzed Radical Cascade Iododifluoromethylation/Cyclization of 1,6-Enynes with Ethyl Difluoroiodoacetate.","Organic letters","2015","17","17","4280","4283","10.1021/acs.orglett.5b02068","","","0.71073","MoKα","","0.0636","0.0438","","","0.0863","0.0994","","","","","","1.078","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555230","24.1416","0.0007","10.1959","0.0003","20.5376","0.0006","90","","90","","90","","5055.2","0.3","293.78","0.1","293.78","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H25 F2 I N2 O4 S -","- C23 H25 F2 I N2 O4 S -","- C184 H200 F16 I8 N16 O32 S8 -","8","2","","Wang, Yu-Qi; He, Yu-Tao; Zhang, Lu-Lu; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min","Palladium-Catalyzed Radical Cascade Iododifluoromethylation/Cyclization of 1,6-Enynes with Ethyl Difluoroiodoacetate.","Organic letters","2015","17","17","4280","4283","10.1021/acs.orglett.5b02068","","x-ray","0.71","MoKα","","0.0663","0.0424","","","0.0717","0.0853","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555231","6.5502","0.0013","13.639","0.003","9.1291","0.0018","90","","91.21","0.03","90","","815.4","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O6 -","- C16 H26 O6 -","- C32 H52 O12 -","2","1","","Hwang, In Hyun; Swenson, Dale C.; Gloer, James B.; Wicklow, Donald T.","Pestaloporonins: Caryophyllene-Derived Sesquiterpenoids from a Fungicolous Isolate of Pestalotiopsis sp.","Organic letters","2015","17","17","4284","4287","10.1021/acs.orglett.5b02080","","","1.2399","synchrotron","","0.0529","0.0499","","","0.1342","0.1375","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555233","6.395","0.0007","46.881","0.006","8.2621","0.001","90","","111.164","0.005","90","","2309.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H36 O6 Si -","- C22 H36 O6 Si -","- C88 H144 O24 Si4 -","4","2","","Clark, J. Stephen; Romiti, Filippo; Sieng, Bora; Paterson, Laura C.; Stewart, Alister; Chaudhury, Subhabrata; Thomas, Lynne H.","Synthesis of the A-D Ring System of the Gambieric Acids.","Organic letters","2015","17","19","4694","4697","10.1021/acs.orglett.5b02093","","","0.71073","MoKα","","0.0857","0.0779","","","0.2029","0.2101","","","","","","1.094","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555236","5.8616","0.0002","11.0435","0.0004","18.6965","0.0008","90","","90","","90","","1210.27","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F O2 -","- C14 H17 F O2 -","- C56 H68 F4 O8 -","4","1","","Navuluri, Chandrasekhar; Charette, André B","Diastereoselective Fluorocyclopropanation of Chiral Allylic Alcohols Using an α-Fluoroiodomethylzinc Carbenoid.","Organic letters","2015","17","17","4288","4291","10.1021/acs.orglett.5b02097","","x-ray","1.34139","GaKα","","0.0251","0.0241","","","0.0579","0.0586","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555237","7.9045","0.0005","11.1779","0.0007","11.7527","0.0007","91.21","0.003","92.807","0.003","94","0.004","1034.33","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 F N2 O6 -","- C23 H23 F N2 O6 -","- C46 H46 F2 N4 O12 -","2","1","","Navuluri, Chandrasekhar; Charette, André B","Diastereoselective Fluorocyclopropanation of Chiral Allylic Alcohols Using an α-Fluoroiodomethylzinc Carbenoid.","Organic letters","2015","17","17","4288","4291","10.1021/acs.orglett.5b02097","","x-ray","1.54178","CuKα","","0.0384","0.0358","","","0.0955","0.0978","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555241","9.5716","0.0005","40.233","0.002","14.5609","0.0008","90","","90","","90","","5607.3","0.5","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C76 H48 O4 -","- C76 H48 O4 -","- C304 H192 O16 -","4","0.5","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","0.71073","MoKα","","0.0375","0.0319","","","0.0901","0.0998","","","","","","1.105","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555242","9.6233","0.0002","28.1324","0.0004","14.4388","0.0002","90","","90","","90","","3908.97","0.11","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C208 H144 O16 -","8","1","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","1.54178","CuKα","","0.0318","0.0297","","","0.0749","0.0764","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555243","9.5385","0.0015","16.362","0.003","14.106","0.002","90","","90","","90","","2201.5","0.6","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C26 H18 Br2 O2 -","- C26 H18 Br2 O2 -","- C104 H72 Br8 O8 -","4","0.5","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","0.71073","MoKα","","0.0562","0.0455","","","0.1026","0.1057","","","","","","0.928","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555244","13.3557","0.0007","13.3557","0.0007","44.138","0.003","90","","90","","90","","7873.1","0.8","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C76 H78 O16 S4 -","- C76 H78 O16 S4 -","- C304 H312 O64 S16 -","4","0.5","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","0.71073","MoKα","","0.0848","0.0679","","","0.1641","0.1731","","","","","","1.08","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555249","12.8306","0.0006","13.8096","0.0006","19.054","0.0009","90","","90","","90","","3376.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 Br N3 O3 -","- C40 H34 Br N3 O3 -","- C160 H136 Br4 N12 O12 -","4","1","","Jing, Changcheng; Xing, Dong; Hu, Wenhao","Catalytic Asymmetric Four-Component Reaction for the Rapid Construction of 3,3-Disubstituted 3-Indol-3'-yloxindoles.","Organic letters","2015","17","17","4336","4339","10.1021/acs.orglett.5b02160","","","0.71073","MoKα","","0.1007","0.0454","","","0.0916","0.1161","","","","","","1.012","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555251","5.3543","0.0011","15.615","0.003","17.226","0.003","90","","93.57","0.03","90","","1437.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Zhao, Peng; Liu, Yu; Xi, Chanjuan","MeOTf-Induced Carboannulation of Isothiocyanates and Aryl Alkynes with C═S Bond Cleavage: Access to Indenones.","Organic letters","2015","17","17","4388","4391","10.1021/acs.orglett.5b02201","","","0.71073","MoKα","","0.0457","0.0442","","","0.1271","0.1287","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555254","9.1038","0.0018","11.532","0.002","16.523","0.003","90","","101.54","0.03","90","","1699.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O S -","- C24 H16 O S -","- C96 H64 O4 S4 -","4","1","","Zhao, Peng; Liu, Yu; Xi, Chanjuan","MeOTf-Induced Carboannulation of Isothiocyanates and Aryl Alkynes with C═S Bond Cleavage: Access to Indenones.","Organic letters","2015","17","17","4388","4391","10.1021/acs.orglett.5b02201","","","0.71073","MoKα","","0.0571","0.0518","","","0.1064","0.1137","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555256","15.86","0.003","8.9849","0.0015","32.138","0.004","90","","117.571","0.007","90","","4059.6","1.2","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 O4 Si -","- C21 H30 O4 Si -","- C168 H240 O32 Si8 -","8","2","","Khatri, Buddha B.; Sieburth, Scott McN","Enyne-2-pyrone [4 + 4]-Photocycloaddition: Sesquiterpene Synthesis and a Low-Temperature Cope Rearrangement.","Organic letters","2015","17","17","4360","4363","10.1021/acs.orglett.5b02207","","","0.71073","MoKα","","0.0889","0.0651","","","0.1741","0.1884","","","","","","1.072","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555257","34.403","0.003","6.7764","0.0006","16.1333","0.0016","90","","92.333","0.002","90","","3758","0.6","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 O3 Si -","- C20 H28 O3 Si -","- C160 H224 O24 Si8 -","8","1","","Khatri, Buddha B.; Sieburth, Scott McN","Enyne-2-pyrone [4 + 4]-Photocycloaddition: Sesquiterpene Synthesis and a Low-Temperature Cope Rearrangement.","Organic letters","2015","17","17","4360","4363","10.1021/acs.orglett.5b02207","","","0.71073","MoKα","","0.0376","0.0326","","","0.0862","0.091","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555258","6.9189","0.0001","13.8264","0.0003","21.5767","0.0005","90","","90","","90","","2064.1","0.07","100","0.2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H5 Cl2 N3 S -","- C9 H5 Cl2 N3 S -","- C72 H40 Cl16 N24 S8 -","8","1","","Kalogirou, Andreas S.; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of N-Aryl-3,5-dichloro-4H-1,2,6-thiadiazin-4-imines from 3,4,4,5-Tetrachloro-4H-1,2,6-thiadiazine.","Organic letters","2015","17","16","4118","4121","10.1021/acs.orglett.5b02237","","","1.54184","CuKα","","0.0317","0.0315","","","0.0835","0.0838","","","","","","1.111","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555276","13.414","0.011","13.414","0.011","13.869","0.011","90","","90","","120","","2161","3","100","2","100","2","","","","","","","synthesis","4","P 32","P 32","145","Boc-gV(NM)-gV(NM)-OEt","Boc-gV(NM)-gV(NM)-OEt","","- C23 H42 N4 O9 -","- C23 H42 N4 O9 -","- C69 H126 N12 O27 -","3","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","x-ray","0.71073","MoKα","","0.1322","0.0726","","","0.161","0.1902","","","","","","1.013","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555277","15.4725","0.0013","16.0538","0.0014","16.749","0.003","107.8","0.002","106.461","0.002","106.157","0.002","3482.3","0.8","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","Boc-gVNM-gVNM-gVNM-OEt","Boc-gVNM-gVNM-gVNM-OEt","","- C32.33333 H57.66667 N6 O12.66667 -","- C32.3333 H57.6667 N6 O12.6667 -","- C97 H173 N18 O38 -","3","3","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","x-ray","0.71073","MoKα","","0.1225","0.0678","","","0.1875","0.2276","","","","","","0.699","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1555278","9.319","0.004","23.446","0.01","11.396","0.005","90","","108.442","0.007","90","","2362.1","1.8","100","2","100","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt","Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt","","- C39 H70 N8 O15 -","- C39 H70 N8 O15 -","- C78 H140 N16 O30 -","2","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","x-ray","0.71073","MoKα","","0.0531","0.041","","","0.0938","0.1012","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555279","11.813","0.003","9.272","0.002","19.747","0.004","90","","104.524","0.005","90","","2093.8","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-UgFNMUgFNHMe","Boc-UgFNMUgFNHMe","","- C37 H54 N6 O8 -","- C37 H54 N6 O8 -","- C74 H108 N12 O16 -","2","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","","0.71073","MoKα","","0.0877","0.0559","","","0.1314","0.1528","","","","","","0.758","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555280","27.637","0.018","27.637","0.018","11.845","0.008","90","","90","","120","","7835","9","100","2","100","2","","","","","","","","4","P 61","P 61","169","Boc-(UgFNM)2-NHMe","Boc-(UgFNM)2-NHMe","","- C44 H71 N7 O12 -","- C44 H71 N7 O12 -","- C264 H426 N42 O72 -","6","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","","0.71073","MoKα","","0.2669","0.1189","","","0.2095","0.2638","","","","","","0.928","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555281","11.226","0.002","12.666","0.002","33.431","0.006","90","","90","","90","","4753.5","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-bV(CH2COOEt)-bL(CH2COOEt)-bV(CH2COOEt)-OBn","Boc-bV(CH2COOEt)-bL(CH2COOEt)-bV(CH2COOEt)-OBn","","- C43 H69 N3 O12 -","- C43 H69 N3 O12 -","- C172 H276 N12 O48 -","4","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","","0.71073","MoKα","","0.1533","0.0709","","","0.1583","0.2027","","","","","","0.997","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555283","9.874","0.001","10.305","0.002","18.765","0.003","90","","99.09","0.01","90","","1885.4","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H28 O7 -","- C18 H28 O7 -","- C72 H112 O28 -","4","2","","Chaudhary, Sandeep; Sharma, Vashundhra; Jaiswal, Pradeep K.; Gaikwad, Anil N.; Sinha, Sudhir K.; Puri, Sunil K.; Sharon, Ashoke; Maulik, Prakas R.; Chaturvedi, Vinita","Stable Tricyclic Antitubercular Ozonides Derived from Artemisinin.","Organic letters","2015","17","20","4948","4951","10.1021/acs.orglett.5b02296","","","0.71073","MoKα","","0.1535","0.0731","","","0.1768","0.2449","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555284","27.579","0.006","8.3362","0.0017","17.969","0.004","90","","122.94","0.03","90","","3467","1.7","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H29 N O -","- C19 H29 N O -","- C152 H232 N8 O8 -","8","1","","Cheng, Yong-Feng; Rong, Hao-Jie; Yi, Cheng-Bo; Yao, Jun-Jun; Qu, Jin","Redox-Triggered α-C-H Functionalization of Pyrrolidines: Synthesis of Unsymmetrically 2,5-Disubstituted Pyrrolidines.","Organic letters","2015","17","19","4758","4761","10.1021/acs.orglett.5b02298","","","0.71073","MoKα","","0.0982","0.0835","","","0.2453","0.26","","","","","","1.131","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555291","9.87691","0.00018","17.4624","0.0003","14.111","0.0003","90","","101.632","0.007","90","","2383.81","0.1","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl N2 O2 P S -","- C28 H22 Cl N2 O2 P S -","- C112 H88 Cl4 N8 O8 P4 S4 -","4","1","","Takada, Hisashi; Kumagai, Naoya; Shibasaki, Masakatsu","Stereoselective Total Synthesis of KAE609 via Direct Catalytic Asymmetric Alkynylation to Ketimine.","Organic letters","2015","17","19","4762","4765","10.1021/acs.orglett.5b02300","","","1.54187","CuKα","","0.0572","0.0474","","","0.1232","0.1292","","","","","","1.146","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555293","4.4189","0.00005","10.48312","0.00013","16.03096","0.00017","90","","95.3299","0.001","90","","739.405","0.015","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Liu, Wei; Li, Hou-Jin; Xu, Meng-Yang; Ju, Ying-Chen; Wang, Lai-You; Xu, Jun; Yang, De-Po; Lan, Wen-Jian","Pseudellones A-C, Three Alkaloids from the Marine-Derived Fungus Pseudallescheria ellipsoidea F42-3.","Organic letters","2015","17","21","5156","5159","10.1021/acs.orglett.5b02311","","x-ray","1.54184","CuKα","","0.0366","0.0341","","","0.088","0.0909","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555294","8.9685","0.0001","11.8374","0.0001","12.3725","0.0001","90","","90","","90","","1313.51","0.02","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","1","","Liu, Wei; Li, Hou-Jin; Xu, Meng-Yang; Ju, Ying-Chen; Wang, Lai-You; Xu, Jun; Yang, De-Po; Lan, Wen-Jian","Pseudellones A-C, Three Alkaloids from the Marine-Derived Fungus Pseudallescheria ellipsoidea F42-3.","Organic letters","2015","17","21","5156","5159","10.1021/acs.orglett.5b02311","","","0.71073","MoKα","","0.0327","0.0323","","","0.0846","0.0849","","","","","","1.086","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555296","10.449","0.002","10.564","0.002","10.913","0.002","65.028","0.008","72.368","0.011","76.052","0.011","1031.7","0.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C42 H44 N4 O12 S2 -","2","1","","Xu, Changming; Zhang, Long; Luo, Sanzhong","Catalytic Asymmetric Oxidative α-C-H N,O-Ketalization of Ketones by Chiral Primary Amine.","Organic letters","2015","17","17","4392","4395","10.1021/acs.orglett.5b02322","","","0.71073","MoKα","","0.047","0.0428","","","0.0939","0.0959","","","","","","1.109","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555300","8.5759","0.0005","13.69","0.0008","15.1168","0.0009","94.615","0.001","91.322","0.002","103.134","0.002","1721.18","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H44 N6 O9 S -","- C35 H44 N6 O9 S -","- C70 H88 N12 O18 S2 -","2","1","","Dabrowa, Kajetan; Niedbala, Patryk; Majdecki, Maciej; Duszewski, Piotr; Jurczak, Janusz","A General Method for Synthesis of Unclosed Cryptands via H-Bond Templated Macrocyclization and Subsequent Mild Postfunctionalization.","Organic letters","2015","17","19","4774","4777","10.1021/acs.orglett.5b02324","","","0.71073","MoKα","","0.0479","0.0359","","","0.087","0.0942","","","","","","1.021","","","","has coordinates,has disorder","238446","2020-10-21","18:00:00",""
"1555301","13.5559","0.0002","16.9708","0.0003","16.5586","0.0003","90","","103.987","0.002","90","","3696.43","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 N7 O11 S -","- C34 H43 N7 O11 S -","- C136 H172 N28 O44 S4 -","4","1","","Dabrowa, Kajetan; Niedbala, Patryk; Majdecki, Maciej; Duszewski, Piotr; Jurczak, Janusz","A General Method for Synthesis of Unclosed Cryptands via H-Bond Templated Macrocyclization and Subsequent Mild Postfunctionalization.","Organic letters","2015","17","19","4774","4777","10.1021/acs.orglett.5b02324","","","1.54184","CuKα","","0.0675","0.0483","","","0.1149","0.1275","","","","","","1.027","","","","has coordinates","238446","2020-10-21","18:00:00",""
"1555303","17.897","0.003","4.7536","0.0007","21.443","0.004","90","","105.729","0.004","90","","1756","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","2","","Nguyen, Thanh Binh; Corbin, Mathilde; Retailleau, Pascal; Ermolenko, Ludmila; Al-Mourabit, Ali","Elements as Direct Feedstocks for Organic Synthesis: Fe/I2/O2 for Diamination of 2-Cyclohexenones with 2-Aminopyrimidine and 2-Aminopyridines.","Organic letters","2015","17","20","4956","4959","10.1021/acs.orglett.5b02340","","","0.71075","MoKα","","0.0731","0.0449","","","0.1048","0.122","","","","","","1.015","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555304","10.972","0.0003","11.356","0.0003","12.6933","0.0003","105.75","0.001","96.509","0.001","100.348","0.001","1475.31","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N2 O4 S2 -","- C36 H26 N2 O4 S2 -","- C72 H52 N4 O8 S4 -","2","1","","Sumi, Takaki; Kaburagi, Tomohiro; Morimoto, Masakazu; Une, Kanako; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Fluorescent Photochromic Diarylethene That Turns on with Visible Light.","Organic letters","2015","17","19","4802","4805","10.1021/acs.orglett.5b02361","","","1.54178","CuKα","","0.0408","0.0392","","","0.1073","0.109","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555305","7.8828","0.0002","13.6596","0.0003","14.9014","0.0003","112.825","0.001","96.4272","0.0011","96.2488","0.0013","1449.13","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N2 O4 S2 -","- C36 H26 N2 O4 S2 -","- C72 H52 N4 O8 S4 -","2","1","","Sumi, Takaki; Kaburagi, Tomohiro; Morimoto, Masakazu; Une, Kanako; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Fluorescent Photochromic Diarylethene That Turns on with Visible Light.","Organic letters","2015","17","19","4802","4805","10.1021/acs.orglett.5b02361","","","1.54178","CuKα","","0.0457","0.0421","","","0.1177","0.1215","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555306","11.3073","0.0003","12.3863","0.0002","11.762","0.0002","90","","103.475","0.002","90","","1601.99","0.06","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","","Deng, Guisheng; Wang, Feng; Lu, Shengle; Cheng, Bo","Synthesis of Pyrano[3,2-c]pyrazol-7(1H)-one Derivatives by Tandem Cyclization of 2-Diazo-3,5-dioxo-6-ynoates (Ynones).","Organic letters","2015","17","19","4651","4653","10.1021/acs.orglett.5b02369","","","1.54184","CuKα","","0.0524","0.0487","","","0.1377","0.1433","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555307","13.19","0.0011","10.5762","0.0009","12.1985","0.001","90","","109.1","0.001","90","","1608","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Gao, Bao; Xie, Yinjun; Shen, Zhiqiang; Yang, Lei; Huang, Hanmin","Decarboxylative Alkylcarboxylation of α,β-Unsaturated Acids Enabled by Copper-Catalyzed Oxidative Coupling.","Organic letters","2015","17","20","4968","4971","10.1021/acs.orglett.5b02382","","","0.71073","MoKα","","0.0489","0.0411","","","0.1201","0.1299","","","","","","1.007","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555308","7.1386","0.0001","8.0009","0.0001","23.6032","0.0004","90","","90","","90","","1348.1","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Cheng, Tanyu; Ye, Qunqun; Zhao, Qiankun; Liu, Guohua","Dynamic Kinetic Resolution of Phthalides via Asymmetric Transfer Hydrogenation: A Strategy Constructs 1,3-Distereocentered 3-(2-Hydroxy-2-arylethyl)isobenzofuran-1(3H)-one.","Organic letters","2015","17","20","4972","4975","10.1021/acs.orglett.5b02394","","","1.54178","CuKα","","0.0322","0.032","","","0.082","0.0822","","","","","","1.086","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555309","6.9324","0.0002","8.0825","0.0003","12.0884","0.0003","92.847","0.002","95.144","0.002","94.822","0.002","671.09","0.04","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C34 H24 N4 O2 -","2","1","","Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark","Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation.","Organic letters","2015","17","19","4838","4841","10.1021/acs.orglett.5b02403","","","1.54178","CuKα","","0.0441","0.0357","","","0.0843","0.0885","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555310","14.5086","0.0013","13.0756","0.0009","15.3147","0.001","90","","90","","90","","2905.3","0.4","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C152 H112 N16 O8 -","8","1","","Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark","Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation.","Organic letters","2015","17","19","4838","4841","10.1021/acs.orglett.5b02403","","","0.71073","MoKα","","0.0539","0.0398","","","0.0926","0.1022","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555311","9.9575","0.0004","10.3499","0.0004","34.9584","0.0014","90","","95.625","0.002","90","","3585.4","0.2","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C168 H160 N16 O24 -","8","2","","Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark","Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation.","Organic letters","2015","17","19","4838","4841","10.1021/acs.orglett.5b02403","","","1.54178","CuKα","","0.0339","0.033","","","0.0808","0.0814","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555312","12.4989","0.0005","10.3089","0.0004","15.2366","0.0005","90","","91.7","0.002","90","","1962.37","0.13","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","","Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark","Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation.","Organic letters","2015","17","19","4838","4841","10.1021/acs.orglett.5b02403","","","1.54178","CuKα","","0.0343","0.0327","","","0.0825","0.0844","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555313","10.027","0.002","5.4598","0.0013","16.953","0.004","90","","106.348","0.004","90","","890.6","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H17 Cl -","- C25 H17 Cl -","- C50 H34 Cl2 -","2","1","","Mendis, Shehani N.; Tunge, Jon A.","Palladium-Catalyzed Stereospecific Decarboxylative Benzylation of Alkynes.","Organic letters","2015","17","21","5164","5167","10.1021/acs.orglett.5b02410","","","1.54178","CuKα","","0.0255","0.0255","","","0.0661","0.0661","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555314","8.1216","0.0007","11.5944","0.001","21.1982","0.0018","90","","90","","90","","1996.1","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F3 N3 O5 -","- C20 H18 F3 N3 O5 -","- C80 H72 F12 N12 O20 -","4","1","","Henderson, Alexander S.; Medina, Sandra; Bower, John F.; Galan, M. Carmen","Nucleophilic Aromatic Substitution (SNAr) as an Approach to Challenging Carbohydrate-Aryl Ethers.","Organic letters","2015","17","19","4846","4849","10.1021/acs.orglett.5b02413","","","0.71073","MoKα","","0.0555","0.0368","","","0.0712","0.0791","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555315","12.1722","0.0005","5.9237","0.0002","12.6791","0.0006","90","","115.892","0.0015","90","","822.45","0.06","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 P -","- C22 H17 P -","- C44 H34 P2 -","2","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","","0.0308","","","","0.0618","","","","","","1.036","","","","has coordinates","238466","2020-10-21","18:00:00",""
"1555316","8.5323","0.0003","19.1547","0.0004","12.0545","0.0004","90","","99.9913","0.0011","90","","1940.23","0.1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 As Au Cl -","- C22 H17 As Au Cl -","- C88 H68 As4 Au4 Cl4 -","4","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","","0.0271","","","","0.0534","","","","","","1.045","","","","has coordinates","238467","2020-10-21","18:00:00",""
"1555317","9.915","0.003","17.298","0.005","22.652","0.006","90","","90","","90","","3885","1.9","273","","273","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 Au Cl P -","- C22 H17 Au Cl P -","- C176 H136 Au8 Cl8 P8 -","8","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","0.0525","0.0413","","","0.0889","0.0949","","","","","","0.934","","","","has coordinates","238469","2020-10-21","18:00:00",""
"1555318","7.88163","0.00018","16.2823","0.0004","15.3253","0.0003","90","","90","","90","","1966.71","0.08","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H21 As O2 -","- C24 H21 As O2 -","- C96 H84 As4 O8 -","4","0.5","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","","0.0306","","","","0.0934","","","","","","1.009","","","","has coordinates","238470","2020-10-21","18:00:00",""
"1555319","12.2262","0.0004","6.03311","0.00018","12.5465","0.0005","90","","115.216","0.001","90","","837.26","0.05","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 As -","- C22 H17 As -","- C44 H34 As2 -","2","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","","0.0246","","","","0.0409","","","","","","1.205","","","","has coordinates","238472","2020-10-21","18:00:00",""
"1555320","20.9818","0.0003","8.85852","0.0001","8.04013","0.0001","90","","90","","90","","1494.4","0.03","123","","123","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions.","Organic letters","2015","17","19","4862","4865","10.1021/acs.orglett.5b02420","","","1.54187","CuKα","","0.0358","0.0328","","","0.0837","0.0868","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555321","8.30165","0.00015","11.9912","0.0002","19.0328","0.0004","81.1115","0.0007","89.9577","0.0007","75.0852","0.0007","1807.32","0.06","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 B F4 N -","- C22 H20 B F4 N -","- C88 H80 B4 F16 N4 -","4","2","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions.","Organic letters","2015","17","19","4862","4865","10.1021/acs.orglett.5b02420","","","1.54187","CuKα","","0.0684","0.0607","","","0.155","0.164","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555322","8.35321","0.00019","18.1932","0.0003","12.3367","0.0003","90","","109.572","0.0013","90","","1766.51","0.07","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 I N -","- C22 H20 I N -","- C88 H80 I4 N4 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","A Molecular Seesaw Balance: Evaluation of Solvent and Counteranion Effects on Pyridinium-π Interactions.","Organic letters","2015","17","19","4862","4865","10.1021/acs.orglett.5b02420","","","1.54187","CuKα","","0.0456","0.0409","","","0.0977","0.1004","","","","","","1.06","","","","has coordinates","238478","2020-10-21","18:00:00",""
"1555323","6.5669","0.0008","20.611","0.002","7.3177","0.0009","90","","92.8","0.003","90","","989.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Cl N3 O6 -","- C20 H16 Cl N3 O6 -","- C40 H32 Cl2 N6 O12 -","2","1","","He, Fu-Sheng; Zhu, Han; Wang, Zheng; Gao, Ming; Yu, Xingxin; Deng, Wei-Ping","Asymmetric Construction of 3,4-Diamino Pyrrolidines via Chiral N,O-Ligand/Cu(I) Catalyzed 1,3-Dipolar Cycloaddition of Azomethine Ylides with β-Phthalimidonitroethene.","Organic letters","2015","17","20","4988","4991","10.1021/acs.orglett.5b02431","","","0.71073","MoKα","","0.0432","0.036","","","0.0867","0.0908","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555324","11.813","0.009","18.382","0.014","21.241","0.016","90","","92.944","0.011","90","","4606","6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H53 Cl2 N5 O3 -","- C51 H53 Cl2 N5 O3 -","- C204 H212 Cl8 N20 O12 -","4","1","","Tian, Yaming; Tian, Lumin; He, Xiang; Li, Chunju; Jia, Xueshun; Li, Jian","Indium(III) Chloride-Catalyzed Isocyanide Insertion Reaction to Construct Complex Spirooxindole.","Organic letters","2015","17","19","4874","4877","10.1021/acs.orglett.5b02432","","","0.71073","MoKα","","0.1909","0.0992","","","0.2468","0.3239","","","","","","0.994","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555325","6.5951","0.0014","11.238","0.003","12.03","0.003","105.996","0.006","93.545","0.006","94.888","0.006","850.6","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","12mem_dimer","","","- C17 H31 Si -","- C17 H31 Si -","- C34 H62 Si2 -","2","1","","Sabbasani, Venkata R.; Lee, Daesung","Oxidative Dimerization of Silylallenes via Activation of the Allenic C(sp(2))-H Bond Catalyzed by Copper(I) Chloride and N-Hydroxyphthalimide.","Organic letters","2015","17","19","4878","4881","10.1021/acs.orglett.5b02433","","","0.71073","","","0.0807","0.0526","","","0.1526","0.1784","","","","","","1.154","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555326","6.2702","0.0009","10.955","0.0019","11.088","0.0019","75.965","0.005","74.11","0.005","74.699","0.005","694.6","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H23 Si -","- C13 H23 Si -","- C26 H46 Si2 -","2","1","","Sabbasani, Venkata R.; Lee, Daesung","Oxidative Dimerization of Silylallenes via Activation of the Allenic C(sp(2))-H Bond Catalyzed by Copper(I) Chloride and N-Hydroxyphthalimide.","Organic letters","2015","17","19","4878","4881","10.1021/acs.orglett.5b02433","","","0.71073","","","0.1155","0.0964","","","0.3005","0.3182","","","","","","2.442","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555327","6.5538","0.0005","13.9376","0.001","13.754","0.0011","90","","92.544","0.003","90","","1255.11","0.17","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl F2 N -","- C15 H10 Cl F2 N -","- C60 H40 Cl4 F8 N4 -","4","1","","Aikawa, Kohsuke; Maruyama, Kenichi; Honda, Kazuya; Mikami, Koichi","α-Difluoromethylation on sp(3) Carbon of Nitriles Using Fluoroform and Ruppert-Prakash Reagent.","Organic letters","2015","17","19","4882","4885","10.1021/acs.orglett.5b02438","","","0.71073","","","0.0864","0.0462","","","0.0827","0.0955","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555328","8.4125","0.0004","9.7659","0.0005","11.5692","0.0006","108.577","0.003","95.876","0.003","110.228","0.003","820.9","0.08","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C35 H30 Br F N4 O4 -","- C35 H30 Br F N4 O4 -","- C35 H30 Br F N4 O4 -","1","1","","Bao, Xiaoze; Wang, Baomin; Cui, Longchen; Zhu, Guodong; He, Yuli; Qu, Jingping; Song, Yuming","An Organocatalytic Asymmetric Friedel-Crafts Addition/Fluorination Sequence: Construction of Oxindole-Pyrazolone Conjugates Bearing Vicinal Tetrasubstituted Stereocenters.","Organic letters","2015","17","21","5168","5171","10.1021/acs.orglett.5b02470","","","0.71073","MoKα","","0.043","0.0366","","","0.0948","0.098","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555329","24.4402","0.0007","52.631","0.004","4.31801","0.00013","90","","90","","90","","5554.3","0.5","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H13 Cl O2 -","- C17 H13 Cl O2 -","- C272 H208 Cl16 O32 -","16","1","","Suzuki, Takeyuki; Ismiyarto, ?; Ishizaka, Yuka; Zhou, Da-Yang; Asano, Kaori; Sasai, Hiroaki","One-Pot Catalysis Using a Chiral Iridium Complex/Brønsted Base: Catalytic Asymmetric Synthesis of Catalponol.","Organic letters","2015","17","21","5176","5179","10.1021/acs.orglett.5b02480","","","1.54187","CuKα","","","0.0493","","","","0.1249","","","","","","1.044","","","","has coordinates","238492","2020-10-21","18:00:00",""
"1555330","19.794","0.004","11.828","0.002","7.3236","0.0015","90","","91.476","0.005","90","","1714.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F3 N2 -","- C21 H15 F3 N2 -","- C84 H60 F12 N8 -","4","1","","Tang, Mi; Tong, Lingfeng; Ju, Lei; Zhai, Wanwan; Hu, Yang; Yu, Xinhong","Benzoic Acid Catalyzed Annulations of α-Amino Acids and Aromatic Aldehydes Containing an ortho-Michael Acceptor: Access to 2,5-Dihydro-1H-benzo[c]azepines and 10,11-Dihydro-5H-benzo[e]pyrrolo[1,2-a]azepines.","Organic letters","2015","17","21","5180","5183","10.1021/acs.orglett.5b02484","","","0.71073","MoKα","","0.1182","0.0606","","","0.1366","0.1647","","","","","","1.022","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555331","8.34","0.011","25.16","0.03","8.134","0.01","90","","109.63","0.02","90","","1608","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Yuan, Jingwen; Zhang, Qian; Yu, Mangfei; Huang, Peng; Zhang, Rui; Dong, Dewen","Phenyliodine(III) Diacetate Mediated Oxidative Cyclization of 1-Alkenoyl-1-carbamoyl Cycloalkanes: Access to Spiro-Fused Dihydrofuran-3(2H)-ones.","Organic letters","2015","17","20","5012","5015","10.1021/acs.orglett.5b02485","","","0.71073","MoKα","","0.2259","0.0841","","","0.2134","0.3043","","","","","","0.972","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555332","8.126","0.003","9.511","0.003","12.21","0.004","84.646","0.013","78.696","0.012","74.768","0.01","892","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 F2 N O2 -","- C24 H15 F2 N O2 -","- C48 H30 F4 N2 O4 -","2","1","","Chen, Qi; Chen, Hao; Meng, Xiao; Ma, Yuguo","Lewis Acid Assisted Diels-Alder Reaction with Regio- and Stereoselectivity: Anti-1,4-Adducts with Rigid Scaffolds and Their Application in Explosives Sensing.","Organic letters","2015","17","20","5016","5019","10.1021/acs.orglett.5b02487","","","0.71073","MoKα","","0.0505","0.048","","","0.1232","0.1251","","","","","","1.107","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555333","6.2172","0.0005","11.8634","0.001","29.226","0.002","90","","94.257","0.007","90","","2149.7","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 F4 N2 O4 Si2 -","- C44 H36 F4 N2 O4 Si2 -","- C88 H72 F8 N4 O8 Si4 -","2","0.5","","Chen, Qi; Chen, Hao; Meng, Xiao; Ma, Yuguo","Lewis Acid Assisted Diels-Alder Reaction with Regio- and Stereoselectivity: Anti-1,4-Adducts with Rigid Scaffolds and Their Application in Explosives Sensing.","Organic letters","2015","17","20","5016","5019","10.1021/acs.orglett.5b02487","","","0.71073","MoKα","","0.1105","0.0625","","","0.1376","0.1568","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555334","17.755","0.005","9.629","0.003","15.724","0.006","90","","99.347","0.006","90","","2652.5","1.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 F4 N2 O4 -","- C34 H20 F4 N2 O4 -","- C136 H80 F16 N8 O16 -","4","1","","Chen, Qi; Chen, Hao; Meng, Xiao; Ma, Yuguo","Lewis Acid Assisted Diels-Alder Reaction with Regio- and Stereoselectivity: Anti-1,4-Adducts with Rigid Scaffolds and Their Application in Explosives Sensing.","Organic letters","2015","17","20","5016","5019","10.1021/acs.orglett.5b02487","","","0.71073","MoKα","","0.0618","0.0526","","","0.1134","0.118","","","","","","1.105","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555335","13.6455","0.0003","18.1359","0.0005","24.9551","0.0006","90","","104.465","0.0011","90","","5979.9","0.3","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H46 F12 N6 Ni O16 S4 -","- C51 H46 F11.735 N6 Ni O15.735 S4 -","- C204 H184 F46.94 N24 Ni4 O62.94 S16 -","4","2","","Takeda, Takuya; Harada, Shinji; Nishida, Atsushi","Catalytic Asymmetric Nazarov Cyclization of Heteroaryl Vinyl Ketones through a Crystallographically Defined Chiral Dinuclear Nickel Complex.","Organic letters","2015","17","21","5184","5187","10.1021/acs.orglett.5b02497","","","1.54187","CuKα","","0.3164","0.1394","","","0.328","0.454","","","","","","0.961","","","","has coordinates,has disorder","238504","2020-10-21","18:00:00",""
"1555336","10.612","0.002","16.848","0.003","23.394","0.005","90","","96.68","0.03","90","","4154.2","1.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N O2 -","- C26 H18 Br N O2 -","- C208 H144 Br8 N8 O16 -","8","2","","Liang, Ling; Li, Erqing; Dong, Xuelin; Huang, You","DABCO-Mediated [4 + 4]-Domino Annulation: Access to Functionalized Eight-Membered Cyclic Ethers.","Organic letters","2015","17","19","4914","4917","10.1021/acs.orglett.5b02498","","","0.71073","MoKα","","0.1526","0.0745","","","0.1647","0.2052","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555337","8.3018","0.0001","14.7835","0.0002","12.3636","0.0002","90","","101.126","0.001","90","","1488.86","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","2","","Liao, Hai-Bing; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum.","Organic letters","2015","17","20","5040","5043","10.1021/acs.orglett.5b02515","","","1.54178","CuKα","","0.0326","0.0322","","","0.0895","0.09","","","","","","1.067","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555338","8.0539","0.0001","9.0826","0.0001","9.9175","0.0001","102.862","0.001","97.071","0.001","96.384","0.001","694.648","0.014","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Liao, Hai-Bing; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum.","Organic letters","2015","17","20","5040","5043","10.1021/acs.orglett.5b02515","","","1.54178","CuKα","","0.0441","0.0426","","","0.1205","0.1234","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555339","11.3754","0.0001","11.9359","0.0001","14.185","0.0001","90","","90","","90","","1925.98","0.03","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Liao, Hai-Bing; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum.","Organic letters","2015","17","20","5040","5043","10.1021/acs.orglett.5b02515","","","1.54178","CuKα","","0.0363","0.0351","","","0.0942","0.0959","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555340","45.917","0.004","10.214","0.0009","19.5587","0.0017","90","","104.361","0.002","90","","8886.3","1.3","188","2","188","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C81 H22 O S2 -","- C81 H22 O S2 -","- C648 H176 O8 S16 -","8","1","","Chen, Si; Li, Zong-Jun; Li, Shu-Hui; Gao, Xiang","Base-Promoted Consecutive Enolate Addition Reaction of [60]Fullerene with Ketones.","Organic letters","2015","17","21","5192","5195","10.1021/acs.orglett.5b02528","","","0.71073","MoKα","","0.1478","0.0699","","","0.1228","0.1507","","","","","","1.033","","","","has coordinates","238513","2020-10-21","18:00:00",""
"1555341","9.9134","0.0007","14.8425","0.001","17.0648","0.0012","67.983","0.001","89.643","0.001","77.467","0.001","2264.5","0.3","188","2","188","2","","","","","","","","3","P -1","-P 1","2","","","","- C79 H22 O -","- C79 H22 O -","- C158 H44 O2 -","2","1","","Chen, Si; Li, Zong-Jun; Li, Shu-Hui; Gao, Xiang","Base-Promoted Consecutive Enolate Addition Reaction of [60]Fullerene with Ketones.","Organic letters","2015","17","21","5192","5195","10.1021/acs.orglett.5b02528","","","0.71073","MoKα","","0.1288","0.0702","","","0.1675","0.1969","","","","","","0.968","","","","has coordinates","238515","2020-10-21","18:00:00",""
"1555342","14.971","0.0007","17.4948","0.001","16.7353","0.0009","90","","107.46","0.006","90","","4181.3","0.4","104","2","104","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H24 O -","- C80 H24 O -","- C320 H96 O4 -","4","1","","Chen, Si; Li, Zong-Jun; Li, Shu-Hui; Gao, Xiang","Base-Promoted Consecutive Enolate Addition Reaction of [60]Fullerene with Ketones.","Organic letters","2015","17","21","5192","5195","10.1021/acs.orglett.5b02528","","","0.71073","MoKα","","0.0862","0.0551","","","0.1044","0.1169","","","","","","1.052","","","","has coordinates,has disorder","238517","2020-10-21","18:00:00",""
"1555343","6.0749","0.0007","8.2818","0.0009","25.017","0.003","90","","90","","90","","1258.6","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C52 H84 N4 O8 -","4","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0533","0.0499","","","0.1302","0.1356","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555344","10.7069","0.0007","10.8672","0.0006","19.656","0.0012","90","","90","","90","","2287.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O2 -","- C11 H19 N O2 -","- C88 H152 N8 O16 -","8","2","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0492","0.0473","","","0.1307","0.1334","","","","","","0.936","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555345","5.8171","0.0005","7.1215","0.0007","16.2736","0.0015","90","","94.53","0.005","90","","672.05","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0607","0.0497","","","0.1277","0.1372","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555346","6.1254","0.0003","6.9441","0.0004","10.8047","0.0006","90","","102.426","0.002","90","","448.82","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C18 H30 N2 O4 -","2","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0458","0.045","","","0.1053","0.1061","","","","","","1.197","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555347","6.742","0.0002","7.2944","0.0002","15.8577","0.0004","90","","90","","90","","779.86","0.04","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0616","0.0613","","","0.1297","0.131","","","","","","1.339","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555348","8.236","0.0004","6.3687","0.0003","10.9331","0.0005","90","","92.94","0.001","90","","572.71","0.05","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C26 H26 N2 O6 -","2","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","0.71073","MoKα","","0.0447","0.0413","","","0.1097","0.1135","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555349","7.32024","0.00009","8.9338","0.0001","17.2413","0.0002","90","","91.3123","0.0012","90","","1127.24","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H40 O8 -","- C24 H40 O8 -","- C48 H80 O16 -","2","1","","Wu, Ping; Xue, Jinghua; Yao, Lei; Xu, Liangxiong; Li, Hanxiang; Wei, Xiaoyi","Bisacremines E-G, Three Polycyclic Dimeric Acremines Produced by Acremonium persicinum SC0105.","Organic letters","2015","17","19","4922","4925","10.1021/acs.orglett.5b02536","","","1.54184","CuKα","","0.0314","0.0293","","","0.0706","0.0727","","","","","","1.073","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555350","10.925","0.005","10.939","0.005","11.295","0.005","113.793","0.008","97.632","0.008","99.629","0.008","1187.3","0.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O9 -","- C25 H25 N O9 -","- C50 H50 N2 O18 -","2","1","","Shu, Wen-Ming; Zheng, Kai-Lu; Ma, Jun-Rui; Wu, An-Xin","Transition-Metal-Free Multicomponent Benzannulation Reactions for the Construction of Polysubstituted Benzene Derivatives.","Organic letters","2015","17","21","5216","5219","10.1021/acs.orglett.5b02548","","","0.71073","MoKα","","0.1281","0.0964","","","0.3085","0.3404","","","","","","1.095","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555351","10.167","0.0017","11.5366","0.0019","11.951","0.002","68.165","0.002","67.543","0.002","79.903","0.003","1201.6","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H22 O6 -","- C25 H22 O6 -","- C50 H44 O12 -","2","1","","Shu, Wen-Ming; Zheng, Kai-Lu; Ma, Jun-Rui; Wu, An-Xin","Transition-Metal-Free Multicomponent Benzannulation Reactions for the Construction of Polysubstituted Benzene Derivatives.","Organic letters","2015","17","21","5216","5219","10.1021/acs.orglett.5b02548","","","0.71073","MoKα","","0.0829","0.068","","","0.1885","0.2095","","","","","","1.049","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1555352","10.2764","0.0008","23.0983","0.0019","7.47","0.0006","90","","101.197","0.002","90","","1739.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Siyang, Hai Xiao; Ji, Xiao Yue; Wu, Xu Rui; Wu, Xin Yan; Liu, Pei Nian","Lewis Acid Catalyzed Tandem Polycyclization of Internal Alkynols and Vinyl Azides.","Organic letters","2015","17","21","5220","5223","10.1021/acs.orglett.5b02556","","","0.71073","MoKα","","0.0487","0.0412","","","0.11","0.1169","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555353","8.3568","0.0005","9.126","0.0006","13.2967","0.0008","72.212","0.002","72.822","0.002","85.148","0.002","922.49","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br N O -","- C21 H24 Br N O -","- C42 H48 Br2 N2 O2 -","2","1","","Wong, Ying-Chieh; Ke, Zhihai; Yeung, Ying-Yeung","Lewis Basic Sulfide Catalyzed Electrophilic Bromocyclization of Cyclopropylmethyl Amide.","Organic letters","2015","17","20","4944","4947","10.1021/acs.orglett.5b02557","","","0.71073","MoKα","","0.0423","0.0347","","","0.0782","0.0814","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555354","5.287","0.0002","9.4826","0.0003","34.033","0.0012","90","","90","","90","","1706.23","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 N2 O -","- C18 H32 N2 O -","- C72 H128 N8 O4 -","4","1","","Bosch, Caroline; Fiser, Béla; Gómez-Bengoa, Enrique; Bradshaw, Ben; Bonjoch, Josep","Approach to cis-Phlegmarine Alkaloids via Stereodivergent Reduction: Total Synthesis of (+)-Serratezomine E and Putative Structure of (-)-Huperzine N.","Organic letters","2015","17","20","5084","5087","10.1021/acs.orglett.5b02581","","","1.54178","CuKα","","0.0401","0.036","","","0.0915","0.0943","","","","","","1.083","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555355","6.6742","0.0015","12.874","0.003","25.688","0.005","90","","90","","90","","2207.2","0.8","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N O4 -","- C24 H24 Br N O4 -","- C96 H96 Br4 N4 O16 -","4","1","","Das, Tapas; Saha, Prasenjit; Singh, Vinod K.","Silver(I)-Ferrophox Catalyzed Enantioselective Desymmetrization of Cyclopentenedione: Synthesis of Highly Substituted Bicyclic Pyrrolidines.","Organic letters","2015","17","20","5088","5091","10.1021/acs.orglett.5b02582","","","0.71073","MoKα","","0.1257","0.063","","","0.1431","0.1703","","","","","","0.996","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555356","35.112","0.002","12.3662","0.0005","19.6459","0.001","90","","90","","90","","8530.3","0.7","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","ZWX","","","- C98 H156 Cd4 Cl14 Lu2 N56 O62 -","- C98 H98 Cd4 Cl14 Lu2 N56 O37 -","- C196 H196 Cd8 Cl28 Lu4 N112 O74 -","2","0.25","","Zhao, Wen-Xuan; Wang, Chuan-Zeng; Chen, Li-Xia; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Huang, Ying; Tao, Zhu; Zhu, Qian-Jiang","A Hemimethyl-Substituted Cucurbit[7]uril Derived from 3α-Methyl-glycoluril.","Organic letters","2015","17","20","5072","5075","10.1021/acs.orglett.5b02588","","","1.54184","CuKα","","0.1815","0.1322","","","0.3694","0.4214","","","","","","1.015","","","","has coordinates,has disorder","238543","2020-10-21","18:00:00",""
"1555357","8.2834","0.0012","10.8217","0.0016","18.382","0.003","78.708","0.014","82.706","0.014","89.789","0.012","1602.4","0.4","293.18","0.1","293.18","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","2","","Yang, Chao; Xu, Zheng-Liang; Shao, Hui; Mou, Xue-Qing; Wang, Jie; Wang, Shao-Hua","A Tin(IV) Chloride Promoted Tandem C-O Bond Cleavage/Nazarov Cyclization/Nucleophilic Addition Reaction of 1,1-Disubstituted Allylic Ethers toward the Synthesis of Multisubstituted Indenes.","Organic letters","2015","17","21","5288","5291","10.1021/acs.orglett.5b02610","","x-ray","0.71073","MoKα","","0.1376","0.0748","","","0.1774","0.2409","","","","","","1.004","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555358","9.6947","0.0012","12.5617","0.0014","21.062","0.003","90","","90","","90","","2565","0.6","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 F6 N3 P Pd -","- C25 H26 F6 N3 P Pd -","- C100 H104 F24 N12 P4 Pd4 -","4","1","","Álvarez-Casao, Yolanda; Monge, David; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M","Pyridine-Hydrazones as N,N'-Ligands in Asymmetric Catalysis: Pd(II)-Catalyzed Addition of Boronic Acids to Cyclic Sulfonylketimines.","Organic letters","2015","17","20","5104","5107","10.1021/acs.orglett.5b02613","","","0.71073","MoKα","","0.0327","0.0312","","","0.0845","0.0855","","","","","","1.04","","","","has coordinates,has disorder","238546","2020-10-21","18:00:00",""
"1555359","12.3361","0.0004","6.0532","0.0002","13.2095","0.0004","90","","115.922","0.002","90","","887.15","0.05","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 F2 N O3 -","- C19 H23 F2 N O3 -","- C38 H46 F4 N2 O6 -","2","1","","Aikawa, Kohsuke; Yoshida, Seiya; Kondo, Daisuke; Asai, Yuya; Mikami, Koichi","Catalytic Asymmetric Synthesis of Tertiary Alcohols and Oxetenes Bearing a Difluoromethyl Group.","Organic letters","2015","17","20","5108","5111","10.1021/acs.orglett.5b02617","","","1.54178","CuKα","","0.0455","0.0362","","","0.0839","0.0876","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555360","9.37","0.003","12.582","0.004","14.702","0.004","90.83","0.003","105.888","0.003","110.831","0.003","1546","0.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N2 O4 S2 -","- C38 H30 N2 O4 S2 -","- C76 H60 N4 O8 S4 -","2","1","","Dhiman, Seema; Ramasastry, S. S. V.","One-Pot Relay Gold(I) and Brønsted Acid Catalysis: Cyclopenta[b]annulation of Indoles via Hydroamination/Nazarov-Type Cyclization Cascade of Enynols.","Organic letters","2015","17","20","5116","5119","10.1021/acs.orglett.5b02632","","","0.71073","MoKα","","0.0523","0.0391","","","0.0965","0.1058","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555361","12.0889","0.0008","12.4331","0.0008","18.0531","0.0012","75.323","0.007","86.447","0.007","89.594","0.006","2619.7","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Cl2 N4 O4 Ru -","- C60 H60 Cl2 N4 O4 Ru -","- C120 H120 Cl4 N8 O8 Ru2 -","2","1","","Maeda, Kazuki; Terada, Takuma; Iwamoto, Takahiro; Kurahashi, Takuya; Matsubara, Seijiro","Ruthenium-Porphyrin-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Aldehydes.","Organic letters","2015","17","21","5284","5287","10.1021/acs.orglett.5b02654","","","0.71075","MoKα","","","0.0407","","","","0.112","","","","","","1.037","","","","has coordinates","238551","2020-10-21","18:00:00",""
"1555362","15.928","0.004","11.573","0.003","11.95","0.003","90","","107.075","0.008","90","","2105.7","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O4 S -","- C22 H24 N2 O4 S -","- C88 H96 N8 O16 S4 -","4","1","","Maeda, Kazuki; Terada, Takuma; Iwamoto, Takahiro; Kurahashi, Takuya; Matsubara, Seijiro","Ruthenium-Porphyrin-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Aldehydes.","Organic letters","2015","17","21","5284","5287","10.1021/acs.orglett.5b02654","","","0.71075","MoKα","","","0.0502","","","","0.1335","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555363","16.4534","0.0012","8.1341","0.0006","16.6107","0.0012","90","","116.278","0.009","90","","1993.3","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 S -","- C24 H21 N O2 S -","- C96 H84 N4 O8 S4 -","4","1","","Maeda, Kazuki; Terada, Takuma; Iwamoto, Takahiro; Kurahashi, Takuya; Matsubara, Seijiro","Ruthenium-Porphyrin-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Aldehydes.","Organic letters","2015","17","21","5284","5287","10.1021/acs.orglett.5b02654","","","0.71075","MoKα","","","0.0476","","","","0.16","","","","","","1.088","","","","has coordinates","238554","2020-10-21","18:00:00",""
"1555364","8.1967","0.0014","9.0717","0.0015","15.216","0.003","87.208","0.006","82.37","0.006","65.005","0.005","1016.4","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C44 H50 N2 O4 S2 -","2","1","","Maeda, Kazuki; Terada, Takuma; Iwamoto, Takahiro; Kurahashi, Takuya; Matsubara, Seijiro","Ruthenium-Porphyrin-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Aldehydes.","Organic letters","2015","17","21","5284","5287","10.1021/acs.orglett.5b02654","","","0.71075","MoKα","","","0.0739","","","","0.1786","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555365","9.512","0.004","19.054","0.007","30.838","0.014","90","","93.81","0.008","90","","5577","4","100","2","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H25 Br N2 O4 S -","- C24 H25 Br N2 O4 S -","- C192 H200 Br8 N16 O32 S8 -","8","2","","Shu, Xing-zhong; Schienebeck, Casi M.; Li, Xiaoxun; Zhou, Xin; Song, Wangze; Chen, Lianqing; Guzei, Ilia A.; Tang, Weiping","Rhodium-Catalyzed Stereoselective Intramolecular [5 + 2] Cycloaddition of 3-Acyloxy 1,4-Enyne and Alkene.","Organic letters","2015","17","20","5128","5131","10.1021/acs.orglett.5b02665","","x-ray","0.71073","MoKα","K-L~3~","0.057","0.0499","","","0.1229","0.1259","","","","","","1.062","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555366","12.4342","0.0007","16.375","0.0011","8.6369","0.0005","90","","106.914","0.004","90","","1682.49","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Sar, Dinabandhu; Bag, Raghunath; Yashmeen, Afsana; Bag, Subhendu Sekhar; Punniyamurthy, Tharmalingam","Synthesis of Functionalized Pyrazoles via Vanadium-Catalyzed C-N Dehydrogenative Cross-Coupling and Fluorescence Switch-On Sensing of BSA Protein.","Organic letters","2015","17","21","5308","5311","10.1021/acs.orglett.5b02669","","","0.71073","MoKα","","0.0906","0.0563","","","0.1581","0.1899","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555367","10.2093","0.0001","10.2093","0.0001","30.4222","0.0003","90","","90","","120","","2746.08","0.05","295","2","295","2","","","","","","","","4","P 65","P 65","170","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C108 H138 N6 O42 -","6","1","","N V G, Moorthy; Dyapa, Rajendar; Pansare, Sunil V.","Formal Synthesis of (+)-Lasubine II and (-)-Subcosine II via Organocatalytic Michael Addition of a Ketone to an α-Nitrostyrene.","Organic letters","2015","17","21","5312","5315","10.1021/acs.orglett.5b02677","","","1.54178","CuKα","","0.0321","0.0314","","","0.0911","0.0929","","","","","","1.075","","","","has coordinates,has disorder","238562","2020-10-21","18:00:00",""
"1555368","9.5014","0.001","17.2076","0.0019","9.9401","0.001","90","","90.682","0.002","90","","1625.1","0.3","90","2","90.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N2 O2.5 -","- C19 H21 N2 O2.5 -","- C76 H84 N8 O10 -","4","2","","Palazzo, Teresa A.; Patra, Digambara; Yang, Joung S.; El Khoury, Elsy; Appleton, Mackenzie G.; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Dibenzonaphthyridinones: Heterocycle-to-Heterocycle Synthetic Strategies and Photophysical Studies.","Organic letters","2015","17","23","5732","5735","10.1021/acs.orglett.5b02680","","","0.71073","MoKα","","0.0346","0.0335","","","0.0924","0.0935","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555369","21.8506","0.0005","6.802","0.0001","25.1773","0.0005","90","","113.248","0.001","90","","3438.21","0.12","90","2","90.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 N4 O5 -","- C42 H46 N4 O5 -","- C168 H184 N16 O20 -","4","1","","Palazzo, Teresa A.; Patra, Digambara; Yang, Joung S.; El Khoury, Elsy; Appleton, Mackenzie G.; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J.","Dibenzonaphthyridinones: Heterocycle-to-Heterocycle Synthetic Strategies and Photophysical Studies.","Organic letters","2015","17","23","5732","5735","10.1021/acs.orglett.5b02680","","","1.54178","CuKα","","0.0663","0.0599","","","0.1708","0.1775","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555370","7.0727","0.0002","8.9761","0.0008","11.4306","0.0005","90","","96.806","0.004","90","","720.56","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C38 H32 O10 -","2","1","","Yang, Chunfang; Huang, Chunshuai; Zhang, Wenjun; Zhu, Yiguang; Zhang, Changsheng","Heterologous Expression of Fluostatin Gene Cluster Leads to a Bioactive Heterodimer.","Organic letters","2015","17","21","5324","5327","10.1021/acs.orglett.5b02683","","","1.54178","CuKα","","0.032","0.0303","","","0.0772","0.0791","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555371","7.5169","0.0003","10.5263","0.0005","16.5993","0.0008","90","","90","","90","","1313.42","0.1","88","2","88","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 S2 -","- C14.4167 H11 N O2 S1.8438 -","- C57.6668 H44 N4 O8 S7.3752 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0283","0.0275","","","0.0754","0.0762","","","","","","1.076","","","","has coordinates","238569","2020-10-21","18:00:00",""
"1555372","7.7171","0.0005","7.9486","0.0005","23.816","0.0014","90","","90","","90","","1460.88","0.16","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0342","0.0294","","","0.0678","0.0706","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555373","10.7582","0.0006","10.7582","0.0006","11.4283","0.0007","90","","90","","90","","1322.7","0.13","133","2","133","2","","","","","","","","5","P 43","P 4cw","78","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0295","0.0269","","","0.0645","0.0661","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555374","7.5472","0.0005","10.3052","0.0007","16.2327","0.001","90","","90","","90","","1262.5","0.14","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O3 S -","- C14.1667 H11 N O2.875 S -","- C56.6668 H44 N4 O11.5 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0403","0.0363","","","0.0881","0.0909","","","","","","1.07","","","","has coordinates","238574","2020-10-21","18:00:00",""
"1555375","8.0916","0.0006","9.4218","0.0007","13.8016","0.001","90","","90","","90","","1052.2","0.13","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 S -","- C11 H11 N O2 S -","- C44 H44 N4 O8 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0265","0.0259","","","0.0672","0.0679","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555376","6.625","0.003","10.223","0.004","31.029","0.012","90","","90","","90","","2101.5","1.5","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Br O6 -","- C24 H21 Br O6 -","- C96 H84 Br4 O24 -","4","1","","Liang, Zhi-Qin; Wang, Dong-Ling; Zhang, Han-Ming; Ye, Song","Enantioselective Synthesis of Bicyclic δ-Lactones via N-Heterocyclic Carbene-Catalyzed Cascade Reaction.","Organic letters","2015","17","20","5140","5143","10.1021/acs.orglett.5b02695","","","0.71073","MoKα","","0.063","0.057","","","0.1515","0.1592","","","","","","1.137","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555377","28.0198","0.0017","9.2681","0.0005","17.0333","0.001","90","","104.376","0.002","90","","4284.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 F3 N O4 -","- C24 H24 F3 N O4 -","- C192 H192 F24 N8 O32 -","8","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0777","0.0485","","","0.1357","0.177","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555378","9.5002","0.0007","9.6957","0.0006","10.3129","0.0007","96.467","0.004","104.739","0.004","98.162","0.004","898.32","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N2 O4 -","- C21 H21 N2 O4 -","- C42 H42 N4 O8 -","2","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0764","0.0488","","","0.1464","0.184","","","","","","1.132","","","","has coordinates","238581","2020-10-21","18:00:00",""
"1555379","13.6453","0.0011","9.9432","0.0008","14.4487","0.0011","90","","91.039","0.002","90","","1960","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F3 N3 O -","- C23 H20 F3 N3 O -","- C92 H80 F12 N12 O4 -","4","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0744","0.0481","","","0.1081","0.1209","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555380","32.003","0.003","7.0392","0.0007","19.0154","0.0019","90","","120.399","0.002","90","","3694.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N3 O -","- C22 H27 N3 O -","- C176 H216 N24 O8 -","8","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0811","0.0482","","","0.1123","0.1283","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555381","22.182","0.004","22.337","0.005","14.877","0.003","90","","90","","90","","7371","3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C352 H320 N32 O80 -","16","2","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.1201","0.0679","","","0.1906","0.2788","","","","","","0.987","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555382","17.6141","0.0008","8.5636","0.0004","12.8104","0.0006","90","","107.202","0.002","90","","1845.89","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C96 H88 N8 O4 -","4","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0631","0.043","","","0.134","0.1675","","","","","","1.166","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555383","17.188","0.006","9.172","0.004","13.025","0.005","90","","108.831","0.008","90","","1943.5","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Chung, Tsai-Wen; Narhe, Bharat D.; Lin, Chun-Cheng; Sun, Chung-Ming","Multicomponent Synthesis of Functionalized Tetrahydroacridinones: Insights into a Mechanistic Route.","Organic letters","2015","17","21","5368","5371","10.1021/acs.orglett.5b02705","","","0.71073","MoKα","","0.0641","0.0427","","","0.0982","0.1098","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555384","12.718","0.002","8.6639","0.0016","12.342","0.002","90","","101.101","0.003","90","","1334.5","0.4","293","2","293.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H32 B2 F4 N4 -","- C30 H32 B2 F4 N4 -","- C60 H64 B4 F8 N8 -","2","0.5","","Wang, Jun; Wu, Qinghua; Wang, Shaowu; Yu, Changjiang; Li, Jin; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Conformation-Restricted Partially and Fully Fused BODIPY Dimers as Highly Stable Near-Infrared Fluorescent Dyes.","Organic letters","2015","17","21","5360","5363","10.1021/acs.orglett.5b02717","","","0.71073","MoKα","","0.1728","0.0614","","","0.1313","0.1804","","","","","","0.981","","","","has coordinates,has disorder","238591","2020-10-21","18:00:00",""
"1555385","17.6404","0.0015","8.5702","0.0008","20.1377","0.0017","90","","114.568","0.001","90","","2768.8","0.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B2 F4 N4 -","- C30 H34 B2 F4 N4 -","- C120 H136 B8 F16 N16 -","4","1","","Wang, Jun; Wu, Qinghua; Wang, Shaowu; Yu, Changjiang; Li, Jin; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Conformation-Restricted Partially and Fully Fused BODIPY Dimers as Highly Stable Near-Infrared Fluorescent Dyes.","Organic letters","2015","17","21","5360","5363","10.1021/acs.orglett.5b02717","","","0.71073","MoKα","","0.0864","0.0571","","","0.1591","0.1764","","","","","","1.289","","","","has coordinates","238591","2020-10-21","18:00:00",""
"1555386","8.7914","0.0004","22.2498","0.0011","11.9566","0.0005","90","","90","","90","","2338.79","0.19","105","","105","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Chingle, Ramesh; Lubell, William D.","Azopeptides: Synthesis and Pericyclic Chemistry.","Organic letters","2015","17","21","5400","5403","10.1021/acs.orglett.5b02723","","x-ray","1.34139","GaKα","","0.049","0.0388","","","0.0922","0.0979","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555387","7.8202","0.0005","15.433","0.0009","28.4386","0.0017","90","","90","","90","","3432.2","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 N4 O6 -","- C37 H42 N4 O6 -","- C148 H168 N16 O24 -","4","1","","Chingle, Ramesh; Lubell, William D.","Azopeptides: Synthesis and Pericyclic Chemistry.","Organic letters","2015","17","21","5400","5403","10.1021/acs.orglett.5b02723","","x-ray","1.34139","GaKα","","0.046","0.0437","","","0.1225","0.1248","","","","","","1.022","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555388","10.2983","0.0004","10.6899","0.0005","13.1072","0.0006","90","","94.794","0.003","90","","1437.89","0.11","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H34 N4 O4 -","- C34 H34 N4 O4 -","- C68 H68 N8 O8 -","2","1","","Chingle, Ramesh; Lubell, William D.","Azopeptides: Synthesis and Pericyclic Chemistry.","Organic letters","2015","17","21","5400","5403","10.1021/acs.orglett.5b02723","","x-ray","1.34139","GaKα","","0.0576","0.0371","","","0.0778","0.0846","","","","","","1.03","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555389","12.7295","0.0012","15.5318","0.0014","24.571","0.002","90","","90","","90","","4858","0.7","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Br N2 O3 -","- C29 H25 Br N2 O3 -","- C232 H200 Br8 N16 O24 -","8","1","","Li, Falin; Chen, Jiangfei; Hou, Yading; Li, Yujie; Wu, Xin-Yan; Tong, Xiaofeng","1,3-Dipolar Cycloadditions of 4-Acetoxy Allenoates: Access to 2,3-Dihydropyrazoles, 2,3-Dihydroisoxazoles, and Indolizines.","Organic letters","2015","17","21","5376","5379","10.1021/acs.orglett.5b02724","","","0.71073","MoKα","","0.058","0.0371","","","0.0825","0.0917","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555390","7.4977","0.0014","11.606","0.002","23.037","0.005","90","","91.639","0.003","90","","2003.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N S2 -","- C23 H25 N S2 -","- C92 H100 N4 S8 -","4","1","","Yamauchi, Takayuki; Shibahara, Fumitoshi; Murai, Toshiaki","Direct C-H Bond Arylation of Thienyl Thioamides Catalyzed by Pd-Phenanthroline Complexes.","Organic letters","2015","17","21","5392","5395","10.1021/acs.orglett.5b02742","","","0.71075","MoKα","","0.1112","0.0648","","","0.1384","0.1616","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555391","11.7863","0.0001","15.6266","0.0002","27.3025","0.0004","90","","90","","90","","5028.57","0.11","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H70 Cl I2 N7 O -","- C48 H70 Cl I2 N7 O -","- C192 H280 Cl4 I8 N28 O4 -","4","1","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.0358","0.0319","","","0.0595","0.061","","","","","","1.082","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555392","16.4441","0.0003","19.3772","0.0003","19.7044","0.0003","90","","90","","90","","6278.62","0.18","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C54.5 H73 Cl5 I2 N8 -","- C54.5 H73 Cl5 I2 N8 -","- C218 H292 Cl20 I8 N32 -","4","0.5","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.089","0.0711","","","0.1608","0.1697","","","","","","1.153","","","","has coordinates,has disorder","238603","2020-10-21","18:00:00",""
"1555393","50.2116","0.0013","8.9517","0.0002","25.5239","0.0007","90","","111.754","0.001","90","","10655.4","0.5","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H35 I2 N7 -","- C37 H35 I2 N7 -","- C444 H420 I24 N84 -","12","1.5","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.0534","0.049","","","0.108","0.1107","","","","","","1.145","","","","has coordinates,has disorder","238603","2020-10-21","18:00:00",""
"1555394","20.9995","0.0003","15.2694","0.0002","28.6315","0.0004","90","","90.725","0.004","90","","9179.9","0.2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H108 Cl3 I4 N15 O4 -","- C91 H108 Cl3 I4 N15 O4 -","- C364 H432 Cl12 I16 N60 O16 -","4","1","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.04","0.0339","","","0.0735","0.0765","","","","","","1.087","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555395","17.3106","0.0003","15.673","0.0003","15.0038","0.0003","90","","109.469","0.0001","90","","3837.91","0.13","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 I2 N7 O2 -","- C37 H35 I2 N7 O2 -","- C148 H140 I8 N28 O8 -","4","1","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.0343","0.0297","","","0.0701","0.072","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555396","7.5247","0.0004","13.1309","0.0007","15.066","0.0008","90","","90","","90","","1488.61","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O7 -","- C13 H20 N2 O7 -","- C52 H80 N8 O28 -","4","1","","Habibian, Maryam; Martínez-Montero, Saúl; Portella, Guillem; Chua, Zhijie; Bohle, D. Scott; Orozco, Modesto; Damha, Masad J.","Seven-Membered Ring Nucleoside Analogues: Stereoselective Synthesis and Studies on Their Conformational Properties.","Organic letters","2015","17","21","5416","5419","10.1021/acs.orglett.5b02769","","","0.71073","MoKα","","0.0376","0.0353","","","0.0976","0.0993","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555397","20.9278","0.0013","20.9278","0.0013","11.7428","0.0016","90","","90","","120","","4454","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C62 H73.33 N13 O12 -","- C62 H73.38 N13 O12 -","- C186 H220.14 N39 O36 -","3","0.166667","","Ren, Changliang; Shen, Jie; Zeng, Huaqiang","One-Pot Synthesis of Strained Macrocyclic Pyridone Hexamers and Their High Selectivity toward Cu(2+) Recognition.","Organic letters","2015","17","24","5946","5949","10.1021/acs.orglett.5b02780","","","0.71073","MoKα","","0.0989","0.0838","","","0.2494","0.2672","","","","","","1.108","","","","has coordinates,has disorder","238607","2020-10-21","18:00:00",""
"1555398","7.2207","0.0006","10.6225","0.0008","10.6751","0.0008","90","","101.193","0.004","90","","803.23","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","MW5-023","sarpong110","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","1.54178","CuKα","","0.0266","0.0261","","","0.0663","0.0668","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555399","7.5988","0.0004","8.4424","0.0004","21.953","0.001","90","","90","","90","","1408.33","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","MW5128","sarpong118","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","0.71073","MoKα","","0.032","0.0314","","","0.0817","0.0823","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555400","7.2672","0.0002","12.3762","0.0004","18.5597","0.0005","90","","90","","90","","1669.27","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","kro4-035","sarpong115","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","1.54178","CuKα","","0.0296","0.0291","","","0.0748","0.0753","","","","","","1.089","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555401","7.5354","0.0006","8.5029","0.0008","11.9989","0.0011","90","","90.259","0.006","90","","768.79","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","MW5-085","sarpong114","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C38 H46 N2 O4 -","2","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","1.54178","CuKα","","0.0691","0.0585","","","0.1491","0.1567","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555402","6.5461","0.0002","8.998","0.0004","14.2101","0.0005","92.224","0.002","101.253","0.0019","92.809","0.002","818.92","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 Cl O -","- C22 H15 Cl O -","- C44 H30 Cl2 O2 -","2","1","","Arunprasath, Dhanarajan; Muthupandi, Pandi; Sekar, Govindasamy","Palladium-Catalyzed Intermolecular Carbene Insertion Prior to Intramolecular Heck Cyclization: Synthesis of 2-Arylidene-3-aryl-1-indanones.","Organic letters","2015","17","21","5448","5451","10.1021/acs.orglett.5b02803","","","0.71073","MoKα","","0.0448","0.0354","","","0.0863","0.0924","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555403","6.253","0.0012","15.418","0.003","17.593","0.004","90","","92.18","0.007","90","","1694.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br O -","- C22 H15 Br O -","- C88 H60 Br4 O4 -","4","1","","Arunprasath, Dhanarajan; Muthupandi, Pandi; Sekar, Govindasamy","Palladium-Catalyzed Intermolecular Carbene Insertion Prior to Intramolecular Heck Cyclization: Synthesis of 2-Arylidene-3-aryl-1-indanones.","Organic letters","2015","17","21","5448","5451","10.1021/acs.orglett.5b02803","","","0.71073","MoKα","","0.0538","0.0307","","","0.0585","0.065","","","","","","1.007","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555404","16.0902","0.0014","5.6098","0.0005","17.2424","0.0013","90","","94.43","0.003","90","","1551.7","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O -","- C22 H16 O -","- C88 H64 O4 -","4","1","","Arunprasath, Dhanarajan; Muthupandi, Pandi; Sekar, Govindasamy","Palladium-Catalyzed Intermolecular Carbene Insertion Prior to Intramolecular Heck Cyclization: Synthesis of 2-Arylidene-3-aryl-1-indanones.","Organic letters","2015","17","21","5448","5451","10.1021/acs.orglett.5b02803","","","0.71073","MoKα","","0.084","0.0564","","","0.1189","0.1354","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555405","25.273","0.003","6.4369","0.0009","12.9596","0.0018","90","","90","","90","","2108.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Liu, Hua-Chao; Liu, Kang; Xue, Zhi-Yong; He, Zhao-Lin; Wang, Chun-Jiang","Silver(I)-Catalyzed Enantioselective Desymmetrization of Cyclopentenediones: Access to Highly Functionalized Bicyclic Pyrrolidines.","Organic letters","2015","17","21","5440","5443","10.1021/acs.orglett.5b02810","","","0.71073","MoKα","","0.0722","0.0535","","","0.1133","0.1238","","","","","","0.987","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555406","7.5529","0.0015","11.091","0.002","10.123","0.002","90","","104.11","0.03","90","","822.4","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 N O6 S -","- C17 H15 N O6 S -","- C34 H30 N2 O12 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0475","0.044","","","0.0883","0.0903","","","","","","1.123","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555407","7.7963","0.0006","11.5859","0.0007","23.086","0.0017","90","","90","","90","","2085.3","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O6 S -","- C24 H21 N O6 S -","- C96 H84 N4 O24 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0465","0.0431","","","0.0905","0.0921","","","","","","1.108","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555408","11.974","0.002","5.7044","0.0011","15.451","0.003","90","","95.49","0.03","90","","1050.5","0.3","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H15 Br2 Cl2 N O5 S -","- C18 H15 Br2 Cl2 N O5 S -","- C36 H30 Br4 Cl4 N2 O10 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.048","0.0465","","","0.1222","0.1248","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555409","7.7017","0.0015","8.4118","0.0015","27.288","0.005","90","","90","","90","","1767.9","0.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 S -","- C20 H19 N O5 S -","- C80 H76 N4 O20 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0418","0.0405","","","0.1247","0.1262","","","","","","1.018","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555410","8.3457","0.0017","10.924","0.002","9.879","0.002","90","","109.46","0.03","90","","849.2","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 N4 O5 S -","- C17 H14 N4 O5 S -","- C34 H28 N8 O10 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0382","0.0367","","","0.0907","0.0916","","","","","","1.074","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555411","8.091","0.006","6.973","0.005","15.224","0.011","90","","101.811","0.009","90","","840.7","1.1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N O5 S -","- C17 H14 Br N O5 S -","- C34 H28 Br2 N2 O10 S2 -","2","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.049","0.0477","","","0.119","0.1206","","","","","","1.137","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555412","6.8957","0.0019","12.551","0.003","22.629","0.006","90","","90","","90","","1958.5","0.9","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br F2 N O5 S -","- C17 H12 Br F2 N O5 S -","- C68 H48 Br4 F8 N4 O20 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0425","0.0397","","","0.095","0.0976","","","","","","1.104","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555413","11.289","0.003","10.612","0.003","32.425","0.006","90","","90","","90","","3884.5","1.7","173.15","","173.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C21 H17 N O5 S2 -","- C21 H17 N O5 S2 -","- C168 H136 N8 O40 S16 -","8","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0712","0.0696","","","0.1557","0.1564","","","","","","1.171","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555414","9.155","0.003","9.47","0.003","23.095","0.007","90","","90","","90","","2002.3","1.1","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br Cl N O5 S -","- C19 H17 Br Cl N O5 S -","- C76 H68 Br4 Cl4 N4 O20 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0493","0.0459","","","0.1068","0.1102","","","","","","1.097","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555415","6.5953","0.0015","9.079","0.002","21.403","0.005","90","","90","","90","","1281.6","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Shen, Yang; Li, Linbin; Pan, Zhisheng; Wang, Yinglu; Li, Jundong; Wang, Kuangyu; Wang, Xiance; Zhang, Youyu; Hu, Tianhui; Zhang, Yandong","Protecting-Group-Free Total Synthesis of (-)-Jiadifenolide: Development of a [4 + 1] Annulation toward Multisubstituted Tetrahydrofurans.","Organic letters","2015","17","21","5480","5483","10.1021/acs.orglett.5b02845","","","0.71073","MoKα","","0.0512","0.0505","","","0.1765","0.1778","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555416","7.2691","0.0008","11.4811","0.001","21.668","0.002","90","","90","","90","","1808.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 O4 Si -","- C18 H28 O4 Si -","- C72 H112 O16 Si4 -","4","1","","Shen, Yang; Li, Linbin; Pan, Zhisheng; Wang, Yinglu; Li, Jundong; Wang, Kuangyu; Wang, Xiance; Zhang, Youyu; Hu, Tianhui; Zhang, Yandong","Protecting-Group-Free Total Synthesis of (-)-Jiadifenolide: Development of a [4 + 1] Annulation toward Multisubstituted Tetrahydrofurans.","Organic letters","2015","17","21","5480","5483","10.1021/acs.orglett.5b02845","","","0.71073","MoKα","","0.0633","0.0497","","","0.1263","0.1379","","","","","","0.879","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555417","7.187","0.0004","8.7702","0.0004","11.015","0.0006","90","","98.176","0.005","90","","687.23","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O7 -","- C15 H18 O7 -","- C30 H36 O14 -","2","1","","Shen, Yang; Li, Linbin; Pan, Zhisheng; Wang, Yinglu; Li, Jundong; Wang, Kuangyu; Wang, Xiance; Zhang, Youyu; Hu, Tianhui; Zhang, Yandong","Protecting-Group-Free Total Synthesis of (-)-Jiadifenolide: Development of a [4 + 1] Annulation toward Multisubstituted Tetrahydrofurans.","Organic letters","2015","17","21","5480","5483","10.1021/acs.orglett.5b02845","","","0.71073","MoKα","","0.0288","0.0279","","","0.0697","0.0702","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555418","13.5602","0.0009","8.6298","0.0006","17.3709","0.0012","90","","92.1","0.002","90","","2031.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F6 O9 -","- C17 H16 F6 O9 -","- C68 H64 F24 O36 -","4","1","","Nakhla, Mina C.; Lee, Che-Wah; Wood, John L.","Chemoselective Intramolecular Carbonyl Ylide Formation through Electronically Differentiated Malonate Diesters.","Organic letters","2015","17","23","5760","5763","10.1021/acs.orglett.5b02847","","","0.71073","MoKα","","0.1225","0.0647","","","0.1477","0.1763","","","","","","1.019","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555419","6.4697","0.0006","11.6627","0.0011","16.0124","0.0014","90","","93.278","0.003","90","","1206.23","0.19","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 O5 -","- C11 H16 O5 -","- C44 H64 O20 -","4","1","","Nakhla, Mina C.; Lee, Che-Wah; Wood, John L.","Chemoselective Intramolecular Carbonyl Ylide Formation through Electronically Differentiated Malonate Diesters.","Organic letters","2015","17","23","5760","5763","10.1021/acs.orglett.5b02847","","","0.71073","MoKα","","0.1458","0.078","","","0.1823","0.2192","","","","","","1.047","","","","has coordinates","238644","2020-10-21","18:00:00",""
"1555420","13.9325","0.0008","8.4366","0.0005","16.9502","0.0009","90","","92.536","0.002","90","","1990.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 F3 O9 -","- C17 H19 F3 O9 -","- C68 H76 F12 O36 -","4","1","","Nakhla, Mina C.; Lee, Che-Wah; Wood, John L.","Chemoselective Intramolecular Carbonyl Ylide Formation through Electronically Differentiated Malonate Diesters.","Organic letters","2015","17","23","5760","5763","10.1021/acs.orglett.5b02847","","","0.71073","MoKα","","0.0516","0.0395","","","0.093","0.1004","","","","","","1.043","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555421","5.8376","0.0002","10.6992","0.0004","37.5454","0.0014","90","","90","","90","","2345","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O5 S -","- C24 H31 N O5 S -","- C96 H124 N4 O20 S4 -","4","1","","Serpier, Fabien; Brayer, Jean-Louis; Folléas, Benoît; Darses, Sylvain","Access to Polyfunctionalized Chiral Piperidines through Enantioselective Addition-Carbocyclization Cascade Reaction Catalyzed by a Rhodium(I)-Diene Complex.","Organic letters","2015","17","21","5496","5499","10.1021/acs.orglett.5b02858","","","1.54178","CuKα","","0.0712","0.0447","","","0.0912","0.0994","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555422","15.9311","0.001","9.7436","0.0006","9.2498","0.0006","90","","90","","90","","1435.81","0.16","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H18 Li N2 O -","- C16 H18 Li N2 O -","- C64 H72 Li4 N8 O4 -","4","0.5","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.","Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.","Organic letters","2015","17","24","6154","6157","10.1021/acs.orglett.5b02860","","","0.71073","MoKα","","0.0456","0.0415","","","0.1115","0.1142","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555423","8.4866","0.0004","18.1483","0.0008","16.7017","0.0008","90","","97.928","0.001","90","","2547.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 Si2 -","- C28 H32 N2 Si2 -","- C112 H128 N8 Si8 -","4","1","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.","Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.","Organic letters","2015","17","24","6154","6157","10.1021/acs.orglett.5b02860","","","0.71073","MoKα","","0.0358","0.0319","","","0.0856","0.0877","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555424","26.34","0.003","11.0689","0.0003","18.748","0.004","90","","134.32","0.02","90","","3910.7","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Li2 N4 O2 -","- C44 H62 Li2 N4 O2 -","- C176 H248 Li8 N16 O8 -","4","0.5","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.","Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.","Organic letters","2015","17","24","6154","6157","10.1021/acs.orglett.5b02860","","","0.71073","MoKα","","0.1008","0.062","","","0.1468","0.1666","","","","","","1.028","","","","has coordinates,has disorder","238650","2020-10-21","18:00:00",""
"1555425","13.9869","0.0011","12.5966","0.0011","19.4789","0.0018","90","","90","","90","","3431.9","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H46 N2 Si2 -","- C39 H46 N2 Si2 -","- C156 H184 N8 Si8 -","4","1","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.","Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.","Organic letters","2015","17","24","6154","6157","10.1021/acs.orglett.5b02860","","","0.71073","MoKα","","0.034","0.0299","","","0.0721","0.074","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555426","13.4038","0.0013","9.8242","0.0009","11.011","0.0011","90","","110.376","0.002","90","","1359.2","0.2","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 B F N O5 -","- C13.001 H15.001 B F N O5 -","- C52.004 H60.004 B4 F4 N4 O20 -","4","1","","St Denis, Jeffrey D.; Lee, C. Frank; Yudin, Andrei K.","Access to Cyclic Amino Boronates via Rhodium-Catalyzed Functionalization of Alkyl MIDA Boronates.","Organic letters","2015","17","23","5764","5767","10.1021/acs.orglett.5b02861","","","0.71073","MoKα","","0.0447","0.039","","","0.1028","0.1065","","","","","","1.055","","","","has coordinates,has disorder","238653","2020-10-21","18:00:00",""
"1555427","10.3226","0.0004","15.7804","0.0007","11.1047","0.0005","90","","107.792","0.001","90","","1722.38","0.13","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15.5 H20 B N2 O7.5 S -","- C15.5 H20 B N2 O7.5 S -","- C62 H80 B4 N8 O30 S4 -","4","1","","St Denis, Jeffrey D.; Lee, C. Frank; Yudin, Andrei K.","Access to Cyclic Amino Boronates via Rhodium-Catalyzed Functionalization of Alkyl MIDA Boronates.","Organic letters","2015","17","23","5764","5767","10.1021/acs.orglett.5b02861","","","0.71073","MoKα","","0.0325","0.0303","","","0.0819","0.0837","","","","","","1.029","","","","has coordinates,has disorder","238655","2020-10-21","18:00:00",""
"1555428","6.9371","0.0004","9.8082","0.0006","22.3442","0.0012","90","","90","","90","","1520.31","0.15","171.5","","171.5","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H12 Cl2 O S2 -","- C15 H12 Cl2 O S2 -","- C60 H48 Cl8 O4 S8 -","4","0.5","","Huang, Xin; Wang, Jichao; Ni, Zhangqin; Wang, Sichang; Pan, Yuanjiang","Synthesis of α,α-Disulfenylated Aldehydes via Oxidative Transformation of Tertiary Amines.","Organic letters","2015","17","21","5488","5491","10.1021/acs.orglett.5b02876","","","0.71073","MoKα","","0.0339","0.029","","","0.0747","0.0778","","","","","","1.095","","","","has coordinates,has disorder","238656","2020-10-21","18:00:00",""
"1555429","10.1789","0.0004","11.9937","0.0005","13.2135","0.0005","108.6","0.001","95.189","0.001","102.354","0.001","1471.38","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C82 H54 N4 -","- C82 H54 N4 -","- C82 H54 N4 -","1","0.5","","Liu, Yulong; Shan, Tong; Yao, Liang; Bai, Qing; Guo, Yachen; Li, Jinyu; Han, Xiao; Li, Weijun; Wang, Zhiming; Yang, Bing; Lu, Ping; Ma, Yuguang","Isomers of Pyrene-Imidazole Compounds: Synthesis and Configuration Effect on Optical Properties.","Organic letters","2015","17","24","6138","6141","10.1021/acs.orglett.5b02879","","","0.71073","MoKα","","0.0723","0.048","","","0.1244","0.1416","","","","","","1.018","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555430","10.0347","0.0008","11.9855","0.001","25.329","0.002","77.339","0.002","87.855","0.002","87.767","0.002","2968.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C82 H54 N4 -","- C82 H54 N4 -","- C164 H108 N8 -","2","1","","Liu, Yulong; Shan, Tong; Yao, Liang; Bai, Qing; Guo, Yachen; Li, Jinyu; Han, Xiao; Li, Weijun; Wang, Zhiming; Yang, Bing; Lu, Ping; Ma, Yuguang","Isomers of Pyrene-Imidazole Compounds: Synthesis and Configuration Effect on Optical Properties.","Organic letters","2015","17","24","6138","6141","10.1021/acs.orglett.5b02879","","","0.71073","MoKα","","0.0835","0.0527","","","0.1406","0.1671","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555431","12.275","0.003","11.187","0.002","13.371","0.003","90","","104.835","0.004","90","","1774.9","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Cl N2 O5 -","- C20 H15 Cl N2 O5 -","- C80 H60 Cl4 N8 O20 -","4","2","","Gao, Hang; Luo, Zhenli; Ge, Pingjin; He, Junqian; Zhou, Feng; Zheng, Peipei; Jiang, Jun","Direct Catalytic Asymmetric Synthesis of β-Hydroxy Acids from Malonic Acid.","Organic letters","2015","17","24","5962","5965","10.1021/acs.orglett.5b02891","","","0.71073","MoKα","","0.0273","0.0259","","","0.0739","0.087","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555432","13.5437","0.0009","13.0346","0.0008","16.0277","0.0011","90","","102.411","0.002","90","","2763.4","0.3","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25.5 H31 Cl1.5 N2 O5 P S -","- C25.5 H31 Cl1.5 N2 O5 P S -","- C102 H124 Cl6 N8 O20 P4 S4 -","4","2","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic Aldol-Cyclization Cascade of 3-Isothiocyanato Oxindoles with α-Ketophosphonates for the Enantioselective Synthesis of β-Amino-α-hydroxyphosphonates.","Organic letters","2015","17","21","5508","5511","10.1021/acs.orglett.5b02929","","","0.71073","MoKα","","0.0479","0.0445","","","0.1138","0.117","","","","","","1.069","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1555433","8.9711","0.0012","9.9056","0.0012","10.1296","0.0013","90","","94.135","0.003","90","","897.8","0.2","130","","130","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C19 H18 F3 N O2 S -","- C19 H18 F3 N O2 S -","- C38 H36 F6 N2 O4 S2 -","2","1","","Zhu, Zi-Zhong; Chen, Kai; Yu, Liu-Zhu; Tang, Xiang-Ying; Shi, Min","Copper(I)-Catalyzed Intramolecular Trifluoromethylation of Methylenecyclopropanes.","Organic letters","2015","17","24","5994","5997","10.1021/acs.orglett.5b02940","","","0.71073","MoKα","","0.0846","0.0743","","","0.1954","0.209","","","","","","1.02","","","","has coordinates","238665","2020-10-21","18:00:00",""
"1555434","7.63737","0.00019","22.5914","0.0007","15.1095","0.0004","90","","99.906","0.003","90","","2568.11","0.12","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 O3 -","- C40 H20 O3 -","- C160 H80 O12 -","4","1","","Shyam Sundar, M.; Bedekar, Ashutosh V.","Synthesis and Study of 7,12,17-Trioxa[11]helicene.","Organic letters","2015","17","23","5808","5811","10.1021/acs.orglett.5b02948","","","1.54184","CuKα","","0.0522","0.0427","","","0.1124","0.1209","","","","","","1.0523","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555435","23.0883","0.001","8.2485","0.0004","17.6035","0.0008","90","","90","","90","","3352.5","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 O4 -","- C22 H16 O4 -","- C176 H128 O32 -","8","2","","Shyam Sundar, M.; Bedekar, Ashutosh V.","Synthesis and Study of 7,12,17-Trioxa[11]helicene.","Organic letters","2015","17","23","5808","5811","10.1021/acs.orglett.5b02948","","","0.71073","MoKα","","0.0788","0.0533","","","0.1055","0.1179","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555436","37.9789","0.001","14.5891","0.0004","21.4715","0.0006","90","","119.848","0.0007","90","","10318.8","0.5","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C384 H384 N64 O48 -","16","4","","Yang, Van-Wei; Hong, Bor-Cherng; Kao, Hsin-Kai; Tu, Ting-Hsun; Shen, Jiun-Yi; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","One-Pot Dichotomous Construction of Inside-Azayohimban and Pro-Azayohimban Systems via an Enantioselective Organocatalytic Cascade; Their Use as a Model to Probe the (Aza-)Indole Local Solvent Environment.","Organic letters","2015","17","23","5816","5819","10.1021/acs.orglett.5b02949","","","0.71073","MoKα","","0.0672","0.0528","","","0.1326","0.1398","","","","","","1.059","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555437","8.2785","0.0002","9.2956","0.0002","29.7576","0.0007","90","","90","","90","","2289.96","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N4 O5 -","- C25 H28 N4 O5 -","- C100 H112 N16 O20 -","4","1","","Yang, Van-Wei; Hong, Bor-Cherng; Kao, Hsin-Kai; Tu, Ting-Hsun; Shen, Jiun-Yi; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","One-Pot Dichotomous Construction of Inside-Azayohimban and Pro-Azayohimban Systems via an Enantioselective Organocatalytic Cascade; Their Use as a Model to Probe the (Aza-)Indole Local Solvent Environment.","Organic letters","2015","17","23","5816","5819","10.1021/acs.orglett.5b02949","","","0.71073","MoKα","","0.0909","0.04","","","0.0785","0.1047","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555438","19.5349","0.0019","6.5541","0.0007","34.67","0.004","90","","95.943","0.005","90","","4415.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H63 N5 O11 -","- C44 H63 N5 O11 -","- C176 H252 N20 O44 -","4","1","","Tabor, M. Greg; Shenvi, Ryan A.","Synthesis of Lepadiformine Using a Hydroamination Transform.","Organic letters","2015","17","23","5776","5779","10.1021/acs.orglett.5b02992","","","0.71073","MoKα","","0.1006","0.0664","","","0.1364","0.15","","","","","","1.056","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555439","7.0716","0.0005","6.6011","0.0003","13.3983","0.001","90","","92.659","0.006","90","","624.76","0.07","292","","292","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O -","- C15 H15 N O -","- C30 H30 N2 O2 -","2","1","","Vita, Maria Victoria; Caramenti, Paola; Waser, Jerome","Enantioselective Synthesis of Homoallylic Azides and Nitriles via Palladium-Catalyzed Decarboxylative Allylation.","Organic letters","2015","17","23","5832","5835","10.1021/acs.orglett.5b03002","","","1.54186","CuKα","","0.0409","0.0354","","","0.0918","0.0955","","","","","","1.131","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555440","8.9762","0.001","9.2143","0.001","15.8055","0.001","91.311","0.007","97.75","0.007","93.388","0.009","1292.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Br N3 O -","- C29 H30 Br N3 O -","- C58 H60 Br2 N6 O2 -","2","1","","Duan, Xiao-Yong; Yang, Xiu-Long; Jia, Pan-Pan; Zhang, Man; Han, Bing","Hydrazonyl Radical-Participated Tandem Reaction: A Strategy for the Synthesis of Pyrazoline-Functionalized Oxindoles.","Organic letters","2015","17","24","6022","6025","10.1021/acs.orglett.5b03003","","","0.71","MoKα","","0.0752","0.0646","","","0.1871","0.2043","","","","","","1.105","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555441","9.2686","0.0015","16.156","0.003","9.4109","0.0016","90","","95.246","0.002","90","","1403.3","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Sengoku, Tetsuya; Murata, Yusuke; Aso, Yuwa; Kawakami, Ai; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Indium-Catalyzed Amide Allylation of N-Carbonyl Imides: Formation of Azaspiro-γ-lactones via Ring Opening-Reclosure.","Organic letters","2015","17","23","5846","5849","10.1021/acs.orglett.5b03021","","","0.71073","","","0.0429","0.0379","","","0.0937","0.0969","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555442","25.299","0.002","19.2324","0.0013","28.254","0.004","90","","91.806","0.009","90","","13740","2","120","10","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H170 Cl8 Cu2 N16 O17 -","- C104 H170 Cl8 Cu2 N16 O17 -","- C416 H680 Cl32 Cu8 N64 O68 -","4","0.5","","Ganss, Alexander; Belda, Raquel; Pitarch, Javier; Goddard, Richard; García-España, Enrique; Kubik, Stefan","Synthesis and Structural Characterization of a Cyclen-Derived Molecular Cage.","Organic letters","2015","17","23","5850","5853","10.1021/acs.orglett.5b03027","","","0.7107","MoKα","","0.1702","0.1148","","","0.2927","0.3454","","","","","","0.95","","","","has coordinates,has disorder","238682","2020-10-21","18:00:00",""
"1555443","16.0245","0.0009","8.5681","0.0005","19.233","0.0011","90","","95.076","0.002","90","","2630.3","0.3","105","","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Br N3 O3 -","- C28 H32 Br N3 O3 -","- C112 H128 Br4 N12 O12 -","4","1","","Douchez, Antoine; Lubell, William D.","Chemoselective Alkylation for Diversity-Oriented Synthesis of 1,3,4-Benzotriazepin-2-ones and Pyrrolo[1,2][1,3,4]benzotriazepin-6-ones, Potential Turn Surrogates.","Organic letters","2015","17","24","6046","6049","10.1021/acs.orglett.5b03046","","x-ray","1.34139","GaKα","","0.0292","0.0272","","","0.073","0.0746","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555444","8.8959","0.0011","13.3302","0.0016","15.9639","0.0019","90","","91.132","0.005","90","","1892.7","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Br Cl N3 O3 -","- C20 H15 Br Cl N3 O3 -","- C80 H60 Br4 Cl4 N12 O12 -","4","1","","Douchez, Antoine; Lubell, William D.","Chemoselective Alkylation for Diversity-Oriented Synthesis of 1,3,4-Benzotriazepin-2-ones and Pyrrolo[1,2][1,3,4]benzotriazepin-6-ones, Potential Turn Surrogates.","Organic letters","2015","17","24","6046","6049","10.1021/acs.orglett.5b03046","","x-ray","1.34139","GaKα","","0.0434","0.0425","","","0.114","0.1149","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555445","8.7322","0.0007","9.9954","0.0007","12.0561","0.001","78.166","0.007","89.574","0.007","82.698","0.006","1021.37","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N5 O2 -","- C24 H21 N5 O2 -","- C48 H42 N10 O4 -","2","1","","Ramanathan, Mani; Wang, Yu-Hao; Liu, Shiuh-Tzung","One-Pot Reactions for Synthesis of 2,5-Substituted Tetrazoles from Aryldiazonium Salts and Amidines.","Organic letters","2015","17","23","5886","5889","10.1021/acs.orglett.5b03068","","","1.54178","CuKα","","0.0809","0.0524","","","0.1163","0.1365","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555446","9.0068","0.0002","10.478","0.0003","16.4734","0.0004","90","","90","","90","","1554.65","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Lai, Zengwei; Wang, Zhaobin; Sun, Jianwei","Organocatalytic Asymmetric Nucleophilic Addition to o-Quinone Methides by Alcohols.","Organic letters","2015","17","24","6058","6061","10.1021/acs.orglett.5b03072","","x-ray","1.54184","CuKα","","0.0424","0.0352","","","0.0835","0.0883","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555447","15.108","0.0007","7.54","0.0005","27.9119","0.0014","90","","90","","90","","3179.6","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-methoxy-1-(4-methoxyphenyl)-9H-fluoren-9-one","","- C21 H16 O3 -","- C21 H16 O3 -","- C168 H128 O24 -","8","1","","Ravi Kumar, Devarapalli; Satyanarayana, Gedu","Domino Oxidative [Pd]-Catalysis: One-Pot Synthesis of Fluorenones Starting from Simple Benzylamines and Iodo Arenes.","Organic letters","2015","17","23","5894","5897","10.1021/acs.orglett.5b03077","","","1.54184","CuKα","","0.0806","0.0622","","","0.1677","0.1986","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555448","7.8593","0.001","4.0079","0.0005","36.679","0.004","90","","93.567","0.011","90","","1153.1","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,7-dimethoxy-9H-fluoren-9-one","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Ravi Kumar, Devarapalli; Satyanarayana, Gedu","Domino Oxidative [Pd]-Catalysis: One-Pot Synthesis of Fluorenones Starting from Simple Benzylamines and Iodo Arenes.","Organic letters","2015","17","23","5894","5897","10.1021/acs.orglett.5b03077","","","1.54184","CuKα","","0.1158","0.0849","","","0.2458","0.2543","","","","","","1.361","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555449","20.0748","0.0007","6.8584","0.0003","25.9078","0.0009","90","","106.399","0.001","90","","3421.9","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","1.54178","CuKα","","0.0948","0.0936","","","0.2628","0.2745","","","","","","1.387","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555450","11.623","0.003","7.3026","0.0016","12.673","0.003","90","","95.271","0.003","90","","1071.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C48 H72 O8 -","2","1","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","0.71073","MoKα","","0.0631","0.0462","","","0.1051","0.1163","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555451","31.775","0.005","7.261","0.0011","19.184","0.003","90","","104.026","0.002","90","","4294.1","1.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C192 H288 O32 -","8","2","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","0.71073","MoKα","","0.077","0.0668","","","0.1888","0.1942","","","","","","1.101","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555452","10.27","0.002","7.257","0.0016","14.424","0.003","90","","92.479","0.003","90","","1074","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O4 -","- C24 H36 O4 -","- C48 H72 O8 -","2","1","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","0.71073","MoKα","","0.0485","0.0399","","","0.0969","0.1018","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555453","10.0955","0.0006","13.4185","0.0008","24.927","0.0015","90","","90","","90","","3376.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H54 O5 -","- C38 H54 O5 -","- C152 H216 O20 -","4","1","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","1.54178","CuKα","","0.0662","0.05","","","0.1464","0.1552","","","","","","1.104","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555454","8.2413","0.0004","12.7682","0.0006","15.6926","0.0006","80.64","0.003","82.824","0.003","75.922","0.004","1574.06","0.13","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C62 H84 N8 O2 S2 Si4 -","- C62 H84 N8 O2 S2 Si4 -","- C62 H84 N8 O2 S2 Si4 -","1","0.5","","Cortizo-Lacalle, Diego; Gozalvez, Cristian; Olano, Mikel; Sun, Xiangnan; Melle-Franco, Manuel; Hueso, Luis E.; Mateo-Alonso, Aurelio","Bisthiadiazole-Fused Tetraazapentacenequinone: An Air-Stable Solution-Processable n-Type Organic Semiconductor.","Organic letters","2015","17","23","5902","5905","10.1021/acs.orglett.5b03099","","x-ray","1.54184","","","0.0671","0.0424","","","0.0833","0.0929","","","","","","0.982","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555455","9.8014","0.0013","12.1207","0.0015","13.323","0.003","99.552","0.015","106.402","0.016","111.742","0.012","1343.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 Cl2 N O4 S -","- C31 H23 Cl2 N O4 S -","- C62 H46 Cl4 N2 O8 S2 -","2","1","","Zhu, Yi-Long; Jiang, Bo; Hao, Wen-Juan; Qiu, Jiang-Kai; Sun, Jun; Wang, De-Cai; Wei, Ping; Wang, Ai-Fang; Li, Guigen; Tu, Shu-Jiang","Catalytic Arylsulfonyl Radical Triggered 1,7-Enyne Bicyclizations.","Organic letters","2015","17","24","6078","6081","10.1021/acs.orglett.5b03100","","","0.71073","MoKα","","0.1619","0.0891","","","0.2108","0.264","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555456","7.3264","0.0004","7.7051","0.0006","23.332","0.0014","84.594","0.001","88.837","0.002","82.404","0.001","1299.7","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Cl2 N O3 S -","- C30 H21 Cl2 N O3 S -","- C60 H42 Cl4 N2 O6 S2 -","2","1","","Zhu, Yi-Long; Jiang, Bo; Hao, Wen-Juan; Qiu, Jiang-Kai; Sun, Jun; Wang, De-Cai; Wei, Ping; Wang, Ai-Fang; Li, Guigen; Tu, Shu-Jiang","Catalytic Arylsulfonyl Radical Triggered 1,7-Enyne Bicyclizations.","Organic letters","2015","17","24","6078","6081","10.1021/acs.orglett.5b03100","","","0.71073","MoKα","","0.1809","0.1041","","","0.2512","0.2841","","","","","","1.093","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555457","9.5468","0.0005","10.4076","0.0006","11.3179","0.0007","103.653","0.005","93.612","0.005","114.414","0.006","978.53","0.12","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C46 H36 N4 O6 S2 -","2","1","","Qiao, Huijie; Sun, Suyan; Yang, Fan; Zhu, Yu; Zhu, Weiguo; Dong, Yaxi; Wu, Yusheng; Kong, Xiangtao; Jiang, Ling; Wu, Yangjie","Copper(I)-Catalyzed Sulfonylation of 8-Aminoquinoline Amides with Sulfonyl Chlorides in Air.","Organic letters","2015","17","24","6086","6089","10.1021/acs.orglett.5b03114","","","1.54184","CuKα","","0.0597","0.0522","","","0.1423","0.1513","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555458","7.398","0.002","11.831","0.003","25.874","0.007","90","","94.823","0.018","90","","2256.6","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 F6 N6 -","- C56 H40 F6 N6 -","- C112 H80 F12 N12 -","2","0.5","","Tasior, Mariusz; Chotkowski, Maciej; Gryko, Daniel T.","Extension of Pyrrolopyrrole π-System: Approach to Constructing Hexacyclic Nitrogen-Containing Aromatic Systems.","Organic letters","2015","17","24","6106","6109","10.1021/acs.orglett.5b03129","","","1.54178","CuKα","","0.0862","0.0639","","","0.1661","0.184","","","","","","1.069","","","","has coordinates","238715","2020-10-21","18:00:00",""
"1555459","10.6194","0.0012","15.7603","0.0018","16.3359","0.0018","73.944","0.003","87.761","0.003","73.938","0.003","2522.8","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C136 H112 O -","- C136 H112 O -","- C136 H112 O -","1","0.5","","He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.","Organic letters","2015","17","24","6174","6177","10.1021/acs.orglett.5b03152","","","0.71073","MoKα","","0.1677","0.0637","","","0.1181","0.1517","","","","","","1.01","","","","has coordinates","238717","2020-10-21","18:00:00",""
"1555460","9.9913","0.0007","15.4197","0.0012","15.7043","0.0013","102.428","0.003","92.308","0.003","99.776","0.002","2321","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C62.74 H45.48 Cl1.48 -","- C62.743 H45.486 Cl1.486 -","- C125.486 H90.972 Cl2.972 -","2","1","","He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.","Organic letters","2015","17","24","6174","6177","10.1021/acs.orglett.5b03152","","","0.71073","MoKα","","0.1356","0.0583","","","0.1207","0.148","","","","","","1.01","","","","has coordinates,has disorder","238719","2020-10-21","18:00:00",""
"1555461","10.2023","0.0013","12.2529","0.0014","16.1191","0.0019","98.99","0.03","102.37","0.03","105.55","0.03","1846.7","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C104 H80 O -","- C104 H80 O -","- C104 H80 O -","1","0.5","","He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.","Organic letters","2015","17","24","6174","6177","10.1021/acs.orglett.5b03152","","","0.71073","MoKα","","0.1839","0.0722","","","0.1547","0.2176","","","","","","1.073","","","","has coordinates","238721","2020-10-21","18:00:00",""
"1555462","10.11","0.002","10.19","0.002","36.97","0.007","91.2","0.03","94.1","0.03","95.6","0.03","3779.3","1.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H40 O0.5 -","- C52 H40 O0.5 -","- C208 H160 O2 -","4","2","","He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.","Organic letters","2015","17","24","6174","6177","10.1021/acs.orglett.5b03152","","","0.71073","MoKα","","0.2558","0.1127","","","0.273","0.341","","","","","","1.198","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555463","30.72","0.003","17.174","0.0011","16.373","0.0012","90","","97.824","0.003","90","","8557.7","1.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 O -","- C58 H52 O -","- C464 H416 O8 -","8","1","","He, Bairong; Nie, Han; Chen, Long; Lou, Xiaoding; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","High Fluorescence Efficiencies and Large Stokes Shifts of Folded Fluorophores Consisting of a Pair of Alkenyl-Tethered, π-Stacked Oligo-p-phenylenes.","Organic letters","2015","17","24","6174","6177","10.1021/acs.orglett.5b03152","","","0.71073","MoKα","","0.1893","0.1061","","","0.2099","0.2442","","","","","","1.188","","","","has coordinates,has disorder","301780","2025-08-18","21:43:33",""
"1555464","13.0804","0.0014","18.104","0.002","15.8995","0.0017","90","","102.512","0.003","90","","3675.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl N2 O1.425 -","- C19 H17 Cl N2 O1.42655 -","- C152 H136 Cl8 N16 O11.4124 -","8","2","","Jiang, Pingping; Li, Feng; Xu, Yongbao; Liu, Qingwen; Wang, Jing; Ding, Hong; Yu, Renfu; Wang, Qifeng","Aromaticity-Dependent Regioselectivity in Pd(II)-Catalyzed C-H Direct Arylation of Aryl Ureas.","Organic letters","2015","17","23","5918","5921","10.1021/acs.orglett.5b03153","","x-ray","0.71073","MoKα","","0.2165","0.091","","","0.2799","0.329","","","","","","0.918","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1555465","9.2786","0.0015","23.641","0.004","7.5289","0.0011","90","","90","","90","","1651.5","0.5","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H14 O4 -","- C21 H14 O4 -","- C84 H56 O16 -","4","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.067","0.0409","","","0.0893","0.1006","","","","","","0.936","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555466","13.899","0.003","6.5834","0.0012","14.579","0.003","90","","117.751","0.003","90","","1180.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0632","0.0468","","","0.1228","0.1326","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555467","7.3238","0.0008","9.814","0.0011","19.747","0.002","90","","90","","90","","1419.3","0.3","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0784","0.0491","","","0.0937","0.1054","","","","","","0.998","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555468","10.271","0.0011","9.1771","0.001","11.2051","0.0012","90","","97.686","0.002","90","","1046.7","0.2","130","","130","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O3 -","- C14 H10 O3 -","- C56 H40 O12 -","4","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0542","0.0434","","","0.1155","0.1237","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555469","12.5409","0.0014","7.8473","0.0008","31.588","0.003","90","","90","","90","","3108.6","0.6","130","","130","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C176 H112 O24 -","8","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0739","0.0467","","","0.1095","0.1241","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555470","6.866","0.005","10.24","0.007","11.188","0.007","69.311","0.011","72.734","0.012","83.093","0.013","702.6","0.8","130","2","130","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C38 H28 O6 -","2","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.1169","0.0767","","","0.1861","0.223","","","","","","0.983","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555471","4.629","0.002","16.421","0.008","17.474","0.008","90","","91.158","0.01","90","","1328","1.1","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0896","0.068","","","0.1958","0.2214","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555472","7.4224","0.0019","7.787","0.002","12.133","0.003","99.775","0.005","91.453","0.005","97.925","0.005","683.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H12 O3 -","- C18 H12 O3 -","- C36 H24 O6 -","2","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0592","0.0485","","","0.1213","0.1295","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555473","9.3725","0.001","21.712","0.002","9.3146","0.001","90","","106.094","0.002","90","","1821.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","1","","Hong, Jung-Ho; Atta, Ananta Kumar; Jung, Kwang-Bok; Kim, Seul-Bi; Heo, Jungseok; Cho, Dong-Gyu","Conformationally Locked Tolans, β-Sheet Structures, and Photophysical Properties.","Organic letters","2015","17","24","6222","6225","10.1021/acs.orglett.5b03205","","","0.71073","MoKα","","0.1887","0.0621","","","0.1486","0.2009","","","","","","0.965","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555474","8.5345","0.0004","8.8037","0.0004","11.0062","0.0007","90","","90.369","0.005","90","","826.94","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 N O3 S -","- C17 H22 N O3 S -","- C34 H44 N2 O6 S2 -","2","1","","Moynihan, Lorna; Chadda, Rekha; McArdle, Patrick; Murphy, Paul V.","Allylic Azide Rearrangement in Tandem with Huisgen Cycloaddition for Stereoselective Annulation: Synthesis of C-Glycosyl Iminosugars.","Organic letters","2015","17","24","6226","6229","10.1021/acs.orglett.5b03209","","","0.71073","MoKα","","0.0703","0.0527","","","0.1269","0.1409","","","","","","1.025","","","","has coordinates","238749","2020-10-21","18:00:00",""
"1555475","6.1187","0.0002","15.5628","0.0007","7.4298","0.0003","90","","90.617","0.004","90","","707.46","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N3 O4 -","- C13 H18 N3 O4 -","- C26 H36 N6 O8 -","2","1","","Moynihan, Lorna; Chadda, Rekha; McArdle, Patrick; Murphy, Paul V.","Allylic Azide Rearrangement in Tandem with Huisgen Cycloaddition for Stereoselective Annulation: Synthesis of C-Glycosyl Iminosugars.","Organic letters","2015","17","24","6226","6229","10.1021/acs.orglett.5b03209","","","0.71073","MoKα","","0.0365","0.0341","","","0.0887","0.0907","","","","","","1.068","","","","has coordinates","238751","2020-10-21","18:00:00",""
"1555476","6.642","0.0002","14.2879","0.0004","13.6807","0.0004","90","","91.605","0.002","90","","1297.79","0.07","100","2","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H20 O S2 Si -","- C10 H20 O S2 Si -","- C40 H80 O4 S8 Si4 -","4","2","","Melillo, Bruno; Chen, Ming Z.; Forestieri, Roberto; Smith, 3rd, Amos B","An Effective Bifunctional Aldehyde Linchpin for Type II Anion Relay Chemistry: Development and Application to the Synthesis of a C16-C29 Fragment of Rhizopodin.","Organic letters","2015","17","24","6242","6245","10.1021/acs.orglett.5b03235","","","0.71073","MoKα","","0.0353","0.0307","","","0.0867","0.0999","","","","","","1.146","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555477","9.7683","0.0006","10.4783","0.0007","12.5293","0.0008","102.548","0.003","99.034","0.002","115.038","0.002","1088.3","0.13","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 O S4 Si -","- C18 H34 O S4 Si -","- C36 H68 O2 S8 Si2 -","2","1","","Melillo, Bruno; Chen, Ming Z.; Forestieri, Roberto; Smith, 3rd, Amos B","An Effective Bifunctional Aldehyde Linchpin for Type II Anion Relay Chemistry: Development and Application to the Synthesis of a C16-C29 Fragment of Rhizopodin.","Organic letters","2015","17","24","6242","6245","10.1021/acs.orglett.5b03235","","","0.71073","MoKα","","0.0198","0.0194","","","0.0502","0.0506","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555478","12.2975","0.0008","14.2131","0.0009","10.3046","0.0007","90","","107.61","0.005","90","","1716.7","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","1","","Taguchi, Masamitsu; Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki","Synthesis of Fused Carbazoles by Gold-Catalyzed Tricyclization of Conjugated Diynes via Rearrangement of an N-Propargyl Group.","Organic letters","2015","17","24","6250","6253","10.1021/acs.orglett.5b03254","","","1.54187","CuKα","","0.0466","0.0437","","","0.1168","0.1187","","","","","","1.082","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555480","10.094","0.003","14.285","0.004","11.689","0.003","90","","90.952","0.004","90","","1685.2","0.8","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 Br N -","- C21 H18 Br N -","- C84 H72 Br4 N4 -","4","2","","Zhang, Zhenhua; Du, Haifeng","Enantioselective Metal-Free Hydrogenations of Disubstituted Quinolines.","Organic letters","2015","17","24","6266","6269","10.1021/acs.orglett.5b03307","","","0.71073","MoKα","","0.0402","0.0362","","","0.0687","0.0708","","","","","","1.083","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555481","9.0073","0.0002","29.18","0.0007","7.8919","0.0002","90","","104.587","0.001","90","","2007.39","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C96 H96 N8 O8 -","4","1","","Bhojgude, Sachin Suresh; Baviskar, Dnyaneshwar R.; Gonnade, Rajesh G.; Biju, Akkattu T.","Three-Component Coupling Involving Arynes, Aromatic Tertiary Amines, and Aldehydes via Aryl-Aryl Amino Group Migration.","Organic letters","2015","17","24","6270","6273","10.1021/acs.orglett.5b03319","","","0.71073","MoKα","","0.0677","0.0569","","","0.1243","0.1293","","","","","","1.112","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555482","10.369","0.003","13.94","0.005","14.494","0.005","83.533","0.004","85.279","0.004","75.051","0.008","2008.1","1.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O -","- C24 H24 N2 O -","- C96 H96 N8 O4 -","4","2","","Bhojgude, Sachin Suresh; Baviskar, Dnyaneshwar R.; Gonnade, Rajesh G.; Biju, Akkattu T.","Three-Component Coupling Involving Arynes, Aromatic Tertiary Amines, and Aldehydes via Aryl-Aryl Amino Group Migration.","Organic letters","2015","17","24","6270","6273","10.1021/acs.orglett.5b03319","","","0.71073","MoKα","","0.1847","0.111","","","0.3108","0.4024","","","","","","1.341","","","","has coordinates","301780","2025-08-18","21:43:33",""
"1555483","8.73","0.0001","13.8357","0.0002","9.1173","0.0001","90","","93.75","0.001","90","","1098.88","0.02","140","2","140.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C50 H60 N4 O10 -","2","1","","Zhang, Hua; Zhu, Kong-Kai; Han, Ying-Shan; Luo, Cheng; Wainberg, Mark A.; Yue, Jian-Min","Flueggether A and Virosinine A, Anti-HIV Alkaloids from Flueggea virosa.","Organic letters","2015","17","24","6274","6277","10.1021/acs.orglett.5b03320","","","1.54178","CuKα","","0.0376","0.0372","","","0.098","0.0985","","","","","","1.045","","","","has coordinates,has disorder","238768","2020-10-21","18:00:00",""
"1556257","13.389","0.003","7.794","0.0019","13.881","0.003","90","","90.579","0.004","90","","1448.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O4 -","- C17 H12 N2 O4 -","- C68 H48 N8 O16 -","4","1","","Gao, Qinghe; Zhang, Jingjing; Wu, Xia; Liu, Shan; Wu, Anxin","Direct regioselective oxidative cross-coupling of indoles with methyl ketones: a novel route to C3-dicarbonylation of indoles.","Organic letters","2015","17","1","134","137","10.1021/ol503366r","","","0.71073","MoKα","","0.0567","0.0398","","","0.1124","0.1252","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556259","11.1056","0.0002","11.1056","0.0002","11.3593","0.0002","90","","90","","120","","1213.29","0.04","298","2","298","2","","","","","","","","4","P 31","P 31","144","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C54 H57 N9 O9 -","3","1","","Sammons, Matthew; Jennings, Sandra M.; Herr, Michael; Hulford, Catherine A.; Wei, Liuqing; Hallissey, James F.; Kiser, E. Jason; Wright, Stephen W.; Piotrowski, David W.","Synthesis of a cis 2,5-Disubstituted Morpholine by De-epimerization: Application to the Multigram Scale Synthesis of a Mineralocorticoid Antagonist","Organic Process Research & Development","2013","17","6","934","","10.1021/op400101p","","","1.54178","CuKα","","0.0552","0.0434","","","0.0828","0.0873","","","","","","0.727","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1559863","10.1836","0.0008","16.2598","0.0012","23.1451","0.0014","86.414","0.005","81.109","0.006","77.472","0.006","3694.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 S4 Si2 -","- C32 H30 N2 S4 Si2 -","- C128 H120 N8 S16 Si8 -","4","2","","Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua","Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties.","Soft matter","2021","17","2","341","345","10.1039/d0sm01957g","","x-ray","0.71073","MoKα","","0.1241","0.0805","","","0.1835","0.2044","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1559864","38.5368","0.0012","38.5368","0.0012","13.3783","0.0008","90","","90","","120","","17206.1","1.3","300","2","300.51","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H30 N2 S4 Si2 -","- C32 H30 N2 S4 Si2 -","- C576 H540 N36 S72 Si36 -","18","1","","Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua","Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties.","Soft matter","2021","17","2","341","345","10.1039/d0sm01957g","","","0.71073","MoKα","","0.0639","0.0366","","","0.0827","0.1004","","","","","","1.091","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560347","12.0433","0.0019","9.2013","0.0015","14.945","0.002","90","","101.24","0.003","90","","1624.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.5 H4.5 Br0.5 N0.25 O0.25 -","- C14 H18 Br2 N O -","- C56 H72 Br8 N4 O4 -","4","1","","Ruan, Yang; Li, Qian-Hui; Shu, Lijin; Wan, Jun-Hua","A shape-persistent arylene ethynylene macrocycle with a multiple acetamide modified cavity: synthesis and gelation.","Soft matter","2021","17","11","3242","3249","10.1039/d0sm02144j","","","0.71073","MoKα","","0.1138","0.0513","","","0.1418","0.1756","","","","","","1.007","","","","has coordinates","263862","2021-04-05","15:23:10",""
"1561216","11.0762","0.0003","8.762","0.0002","11.511","0.0003","90","","92.557","0.001","90","","1116.03","0.05","193","2","193","2","","","","","","","chemical synthesis","3","P 1 21 1","P 2yb","4","12-epi-Salvinorin A","(2<i>R</i>,4a<i>R</i>,6a<i>R</i>,7<i>R</i>,9<i>S</i>,10a<i>S</i>,10b<i>R</i>)- Methyl 9-Acetoxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxododecahydro- 1<i>H</i>-benzo[<i>f</i>]isochromene-7-carboxylate","","- C23 H28 O8 -","- C23 H28 O8 -","- C46 H56 O16 -","2","1","","Béguin, Cécile; Duncan, Katharine K.; Munro, Thomas A.; Ho, Douglas M.; Xu, Wei; Liu-Chen, Lee-Yuan; Carlezon, William A.; Cohen, Bruce M.","Modification of the furan ring of salvinorin A: Identification of a selective partial agonist at the kappa opioid receptor","Bioorganic & Medicinal Chemistry","2009","17","3","1370","1380","10.1016/j.bmc.2008.12.012","","","0.71073","MoKα","","0.0406","0.0365","","","0.0963","0.0998","","","","","","1.024","","","","has coordinates,has Fobs","301787","2025-08-18","22:19:33",""
"1564110","5.8565","0.0007","8.6565","0.0012","36.543","0.006","90","","90","","90","","1852.6","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Giuri, Demetra; Marshall, Libby J.; Wilson, Claire; Seddon, Annela; Adams, Dave J.","Understanding gel-to-crystal transitions in supramolecular gels.","Soft matter","2021","17","30","7221","7226","10.1039/d1sm00770j","","","0.71073","MoKα","","0.0947","0.0487","","","0.0833","0.0992","","","","","","1.017","","","","has coordinates","268966","2021-09-06","12:41:35",""
"1565089","6.1484","0.0003","10.5215","0.0007","11.0081","0.0009","67.308","0.007","75.384","0.006","85.216","0.005","635.66","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Br2 N2 O6 -","- C26 H24 Br2 N2 O6.064 -","- C26 H24 Br2 N2 O6.064 -","1","0.5","","Zhang, Zhenyu; Sun, Yu; Zhao, Xu; Jin, Nanxi; Xi, Gaolei; Zhang, Xuedong; Cao, Jingjin; Wu, Jia; Fan, Xia; Qin, Wenping","Novel isoindigo compound with aggregation-induced emission: Br-Br bonding joint restriction of intramolecular motion and cell imaging properties.","Soft matter","2021","17","43","9866","9870","10.1039/d1sm00935d","","","1.54178","CuKα","","0.0458","0.0378","","","0.1168","0.1371","","","","","","0.779","","","","has coordinates,has disorder","271235","2021-12-07","04:03:00",""
"1566115","12.268","0.003","12.391","0.003","13.236","0.003","75.84","0.03","67.39","0.03","76.59","0.03","1779.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 F N2 O2 -","- C21 H21 F N2 O2 -","- C84 H84 F4 N8 O8 -","4","2","","Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying; Ma, Yudan","A new anilido-imine compound containing o-OMe-anilinyl derived from an unexpected adduct: Synthesis, crystal structure and its coordination capability","Comptes Rendus Chimie","2014","17","4","377","385","10.1016/j.crci.2013.09.005","","","0.71073","MoKα","","0.213","0.1258","","","0.3184","0.3737","","","","","","1.046","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1566116","11.736","0.002","7.3385","0.0015","11.975","0.002","90","","119.23","0.03","90","","900","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C42 H40 N4 O4 -","2","1","","Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying; Ma, Yudan","A new anilido-imine compound containing o-OMe-anilinyl derived from an unexpected adduct: Synthesis, crystal structure and its coordination capability","Comptes Rendus Chimie","2014","17","4","377","385","10.1016/j.crci.2013.09.005","","","0.71073","MoKα","","0.0634","0.0401","","","0.0819","0.0888","","","","","","1.04","","","","has coordinates","272219","2022-01-25","10:13:09",""
"1566117","17.954","0.004","13.364","0.003","19.999","0.004","90","","108.54","0.03","90","","4549.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H58 N4 O4 Zn3 -","- C50 H58 N4 O4 Zn3 -","- C200 H232 N16 O16 Zn12 -","4","0.5","","Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying; Ma, Yudan","A new anilido-imine compound containing o-OMe-anilinyl derived from an unexpected adduct: Synthesis, crystal structure and its coordination capability","Comptes Rendus Chimie","2014","17","4","377","385","10.1016/j.crci.2013.09.005","","","0.71073","MoKα","","0.1606","0.0841","","","0.2031","0.2421","","","","","","1.041","","","","has coordinates","272219","2022-01-25","10:13:10",""
"1566118","15.594","0.0007","7.3471","0.0004","15.0885","0.0007","90","","115.877","0.003","90","","1555.37","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Br4 Hg2 O4 S2 -","- C22 H28 Br4 Hg2 O4 S2 -","- C44 H56 Br8 Hg4 O8 S4 -","2","0.5","","Sabounchei, Seyyed Javad; Bagherjeri, Fateme Akhlaghi; Hosseinzadeh, Marjan; Boskovic, Colette; Gable, Robert W.","X-ray crystal structure and spectral characterization of pseudo five-coordinate Hg(II) polymeric and four-coordinate binuclear complexes of an ambidentate sulfonium ylide","Comptes Rendus Chimie","2014","17","12","1257","1263","10.1016/j.crci.2014.03.016","","","0.71073","MoKα","","0.0903","0.0796","","","0.2016","0.2121","","","","","","1.075","","","","has coordinates","272220","2022-01-25","10:17:25",""
"1566119","10.1329","0.0003","12.4857","0.0004","15.387","0.0007","110.37","0.004","96.693","0.003","90.526","0.003","1809.94","0.12","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Cl4 Hg2 O6 S4 -","- C26 H40 Cl4 Hg2 O6 S4 -","- C52 H80 Cl8 Hg4 O12 S8 -","2","1","","Sabounchei, Seyyed Javad; Bagherjeri, Fateme Akhlaghi; Hosseinzadeh, Marjan; Boskovic, Colette; Gable, Robert W.","X-ray crystal structure and spectral characterization of pseudo five-coordinate Hg(II) polymeric and four-coordinate binuclear complexes of an ambidentate sulfonium ylide","Comptes Rendus Chimie","2014","17","12","1257","1263","10.1016/j.crci.2014.03.016","","","0.7107","MoKα","","0.0601","0.0436","","","0.1029","0.1137","","","","","","1.057","","","","has coordinates","272220","2022-01-25","10:17:25",""
"1570432","9.611","0.002","15.13","0.003","21.533","0.005","91.969","0.008","96.72","0.009","101.57","0.009","3041.1","1.1","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H85.6 F12 Mg N14 O8 S4 -","- C34 H85.6 F12 Mg N14 O8 S4 -","- C68 H171.2 F24 Mg2 N28 O16 S8 -","2","1","","Wang, Min; Sun, Wenhao; Zhang, Kun; Zhang, Zhonghua; Du, Aobing; Dong, Shanmu; Zhang, Jinlei; Liu, Jing; Chen, Xi; Zhou, Zhenfang; Li, Fujun; Li, Zhenjiang; Li, Guicun; Cui, Guanglei","Synergy between the coordination and trace ionization of co-solvents enables reversible magnesium electroplating/stripping behavior","Energy & Environmental Science","2024","17","2","630","641","10.1039/D3EE02450D","","","0.71073","MoKα","","0.1099","0.064","","","0.1495","0.1746","","","","","","1.042","","","","has coordinates,has disorder","289562","2024-02-04","12:15:58",""
"1571635","10.7079","0.0001","19.7519","0.0002","21.8828","0.0002","75.619","0.001","85.37","0.001","82.816","0.001","4442.08","0.08","169.98","0.1","169.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C94 H78 Cl12 N4 O2 S4 -","- C94 H78 Cl12 N4 O2 S4 -","- C188 H156 Cl24 N8 O4 S8 -","2","1","","Wang, Jianxiao; Li, Yonghai; Han, Chenyu; Chen, Liangliang; Bi, Fuzhen; Hu, Zunyuan; Yang, Chunming; Bao, Xichang; Chu, Junhao","All-polymer solar cells with 19% efficiency via introducing pincer-shaped non-covalent bond interactions","Energy & Environmental Science","2024","17","12","4216","4227","10.1039/D4EE01117A","","x-ray","1.54184","CuKα","","0.0522","0.0461","","","0.1235","0.1286","","","","","","1.062","","","","has coordinates,has disorder","293160","2024-07-05","17:22:22",""
"1571803","20.4033","0.0009","7.8689","0.0003","25.4607","0.0012","90","","91.45","0.002","90","","4086.4","0.3","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H74 F6 N4 O6 S6 -","- C84 H74 F6 N4 O6 S6 -","- C168 H148 F12 N8 O12 S12 -","2","0.5","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptors via interchain interaction for efficient and stable organic solar cells","Energy & Environmental Science","2024","17","14","5137","5146","10.1039/D4EE02027H","","","1.54178","CuKα","","0.0877","0.0821","","","0.2414","0.2464","","","","","","1.05","","","","has coordinates,has disorder","293876","2024-08-05","19:35:23",""
"1571804","15.606","0.003","16.678","0.003","18.394","0.003","63.176","0.011","69.39","0.014","69.98","0.015","3901.2","1.3","170","2","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H80 F4 N4 O6 S6 -","- C86 H80 F4 N4 O6 S6 -","- C172 H160 F8 N8 O12 S12 -","2","1","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptors via interchain interaction for efficient and stable organic solar cells","Energy & Environmental Science","2024","17","14","5137","5146","10.1039/D4EE02027H","","","1.54178","CuKα","","0.2701","0.18","","","0.413","0.4989","","","","","","1.06","","","","has coordinates","293876","2024-08-05","19:35:25",""
"1571805","15.5739","0.0012","18.8499","0.0015","20.1648","0.0013","98.961","0.005","96.362","0.004","98.914","0.005","5721.3","0.7","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C126 H113 F6 N6 O9 S9 -","- C126 H113 F6 N6 O9 S9 -","- C252 H226 F12 N12 O18 S18 -","2","1","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptors via interchain interaction for efficient and stable organic solar cells","Energy & Environmental Science","2024","17","14","5137","5146","10.1039/D4EE02027H","","","1.54178","CuKα","","0.2413","0.1847","","","0.4266","0.4694","","","","","","1.204","","","","has coordinates","293876","2024-08-05","19:35:25",""
"1572300","15.2382","0.0005","11.8007","0.0004","14.4932","0.0005","90","","90","","90","","2606.19","0.15","213","2","213","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C112 H112 O32 -","8","1","","Li, Yu-Hao; Cui, Min; Gong, Yi; Xu, Tian-Yi; Tong, Fei","Size Reduction to Enhance Crystal-to-Liquid Phase Transition Induced by E-to-Z Photoisomerization Based on Molecular Crystals of Phenylbutadiene Ester","Materials","2024","17","15","3664","","10.3390/ma17153664","","","0.71073","MoKα","","0.0564","0.0442","","","0.111","0.1225","","","","","","1.024","","","","has coordinates","293972","2024-08-06","10:38:28",""
"1572790","20.0971","0.0002","24.3131","0.0002","56.2506","0.0005","90","","90.019","0.001","90","","27485.3","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C73.67 H61.33 Cl2.67 N7.67 O3.33 S3.33 -","- C75 H61.3333 Cl4 N9 O2 S2 -","- C900 H736 Cl48 N108 O24 S24 -","12","1.5","","Wei, Wenkui; Yuan, Xiyue; Zhong, Jianbin; Wang, Zhiqiang; Zhou, Xia; Zhao, Feixiang; Feng, Dinglong; Zhang, Yue; Chen, Weidi; Yang, Mingqun; Zhang, Wei; Ma, Zaifei; Tang, Zheng; Lu, Xinhui; Huang, Fei; Cao, Yong; Duan, Chunhui","High-efficiency organic solar cells from low-cost pentacyclic fused-ring electron acceptors via crystal engineering","Energy & Environmental Science","2024","17","18","6627","6639","10.1039/D4EE02296C","","","1.54184","CuKα","","0.1299","0.1067","","","0.3237","0.3578","","","","","","1.482","","","","has coordinates","295058","2024-10-04","19:59:13",""
"1572791","14.9787","0.0007","15.6453","0.0007","15.6646","0.0011","85.291","0.004","68.991","0.005","81.688","0.004","3389.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C76 H78 F4 N9 O2 S2 -","- C76 H78 F4 N9 O2 S2 -","- C152 H156 F8 N18 O4 S4 -","2","1","","Wei, Wenkui; Yuan, Xiyue; Zhong, Jianbin; Wang, Zhiqiang; Zhou, Xia; Zhao, Feixiang; Feng, Dinglong; Zhang, Yue; Chen, Weidi; Yang, Mingqun; Zhang, Wei; Ma, Zaifei; Tang, Zheng; Lu, Xinhui; Huang, Fei; Cao, Yong; Duan, Chunhui","High-efficiency organic solar cells from low-cost pentacyclic fused-ring electron acceptors via crystal engineering","Energy & Environmental Science","2024","17","18","6627","6639","10.1039/D4EE02296C","","x-ray","1.54184","CuKα","","0.2217","0.1982","","","0.6373","0.6754","","","","","","1.103","","","","has coordinates","295058","2024-10-04","19:59:20",""
"1572792","24.291","0.0009","23.969","0.002","33.86","0.0012","90","","107.264","0.004","90","","18826.2","1.9","170","0.1","170","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H78 Cl4 F2 N6 O2 S4 -","- C81 H78 Cl4 F2 N6 O2 S4 -","- C648 H624 Cl32 F16 N48 O16 S32 -","8","1","","Gong, Yufei; Zou, Tianwei; Li, Xiaojun; Qin, Shucheng; Sun, Guangpei; Liang, TongLing; Zhou, Ruimin; Zhang, Jianqi; Zhang, Jinyuan; Meng, Lei; Wei, Zhixiang; Li, Yongfang","C-shaped ortho-benzodipyrrole-based acceptors with different electronic effects of top substituents for as-cast green-solvent processed high-performance organic solar cells","Energy & Environmental Science","2024","17","18","6844","6855","10.1039/D4EE02467B","","x-ray","1.54184","CuKα","","0.2216","0.129","","","0.236","0.271","","","","","","1.07","","","","has coordinates","295059","2024-10-04","20:00:14",""
"1572793","24.4208","0.0012","23.6514","0.0017","33.9562","0.0015","90","","107.33","0.005","90","","18722.3","1.9","169.99","0.1","169.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H88 Cl4 F N6 O2 S4 -","- C84 H88 Cl4 F N6 O2 S4 -","- C672 H704 Cl32 F8 N48 O16 S32 -","8","1","","Gong, Yufei; Zou, Tianwei; Li, Xiaojun; Qin, Shucheng; Sun, Guangpei; Liang, TongLing; Zhou, Ruimin; Zhang, Jianqi; Zhang, Jinyuan; Meng, Lei; Wei, Zhixiang; Li, Yongfang","C-shaped ortho-benzodipyrrole-based acceptors with different electronic effects of top substituents for as-cast green-solvent processed high-performance organic solar cells","Energy & Environmental Science","2024","17","18","6844","6855","10.1039/D4EE02467B","","x-ray","1.54184","CuKα","","0.2094","0.1256","","","0.2311","0.2651","","","","","","1.043","","","","has coordinates","295059","2024-10-04","20:00:16",""
"1572794","24.5282","0.0011","23.803","0.0018","34.0641","0.0012","90","","107.624","0.004","90","","18954.7","1.8","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87 H97 Cl7 N6 O2 S4 -","- C87 H97 Cl7 N6 O2 S4 -","- C696 H776 Cl56 N48 O16 S32 -","8","1","","Gong, Yufei; Zou, Tianwei; Li, Xiaojun; Qin, Shucheng; Sun, Guangpei; Liang, TongLing; Zhou, Ruimin; Zhang, Jianqi; Zhang, Jinyuan; Meng, Lei; Wei, Zhixiang; Li, Yongfang","C-shaped ortho-benzodipyrrole-based acceptors with different electronic effects of top substituents for as-cast green-solvent processed high-performance organic solar cells","Energy & Environmental Science","2024","17","18","6844","6855","10.1039/D4EE02467B","","x-ray","1.54184","CuKα","","0.2182","0.1353","","","0.2738","0.3096","","","","","","1.027","","","","has coordinates,has disorder","295059","2024-10-04","20:00:17",""
"1572943","12.7916","0.0004","16.6444","0.0004","32.545","0.001","90","","97.104","0.003","90","","6875.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H58 Cl Dy2 N9 O15 -","- C75 H58 Cl Dy2 N9 O15 -","- C300 H232 Cl4 Dy8 N36 O60 -","4","1","","Repollés, Ana; Pallarés, María Carmen; Aguilà, David; Roubeau, Olivier; Velasco, Verónica; Gella, Diego; Barrios, Leoní A; Martínez-Pérez, María José; Sesé, Javier; Drung, Dietmar; Martínez, Jesús Ignacio; Schurig, Thomas; Le Guennic, Boris; Lostao, Anabel; Aromí, Guillem; Luis, Fernando","Asymmetric [Dy2] molecules deposited into micro-SQUID susceptometers: <i>in situ</i> characterization of their magnetic integrity.","Nanoscale","2024","17","1","219","229","10.1039/d4nr03484h","","","0.71073","MoKα","","0.1056","0.0578","","","0.0976","0.1126","","","","","","1.026","","","","has coordinates","298969","2025-04-05","03:30:22",""
"1572944","14.533","0.004","15.8767","0.0013","32.939","0.004","90","","91.083","0.015","90","","7599","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78.75 H60.75 Dy La N10.75 O19 -","- C75 H57 Dy La N10 O19 -","- C300 H228 Dy4 La4 N40 O76 -","4","1","","Repollés, Ana; Pallarés, María Carmen; Aguilà, David; Roubeau, Olivier; Velasco, Verónica; Gella, Diego; Barrios, Leoní A; Martínez-Pérez, María José; Sesé, Javier; Drung, Dietmar; Martínez, Jesús Ignacio; Schurig, Thomas; Le Guennic, Boris; Lostao, Anabel; Aromí, Guillem; Luis, Fernando","Asymmetric [Dy2] molecules deposited into micro-SQUID susceptometers: <i>in situ</i> characterization of their magnetic integrity.","Nanoscale","2024","17","1","219","229","10.1039/d4nr03484h","","","0.71073","MoKα","","0.116","0.0611","","","0.1285","0.1535","","","","","","1.01","","","","has coordinates","298969","2025-04-05","03:30:32",""
"1573171","24.815","0.0006","24.815","0.0006","66.157","0.003","90","","90","","120","","35281","2","140","","140","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C144 H84 Cu16 F54 N12 P3 S25 -","- C144 H84 Cu16 F54 N12 P3 S25 -","- C864 H504 Cu96 F324 N72 P18 S150 -","6","0.333333","","Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba K.","Analogous copper nanoclusters (Cu<sub>16/17</sub>) with two electron superatomic and mixed valence copper(II)/copper(I) and copper(I)/copper(0) characters.","Nanoscale","2025","17","2","982","991","10.1039/d4nr03578j","","","1.54178","CuKα","","0.1364","0.0687","","","0.1748","0.2248","","","","","","0.984","","","","has coordinates,has disorder","298973","2025-04-05","03:32:27",""
"1573172","39.487","0.009","20.216","0.003","31.428","0.005","90","","113.044","0.007","90","","23086","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C212 H172 Cl Cu16 F36 N12 O4 S25 -","- C184 H140 Cl Cu16 F36 N12 O4 S25 -","- C736 H560 Cl4 Cu64 F144 N48 O16 S100 -","4","0.5","","Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba K.","Analogous copper nanoclusters (Cu<sub>16/17</sub>) with two electron superatomic and mixed valence copper(II)/copper(I) and copper(I)/copper(0) characters.","Nanoscale","2025","17","2","982","991","10.1039/d4nr03578j","","","0.71073","MoKα","","0.2096","0.1103","","","0.2912","0.3271","","","","","","1.028","","","","has coordinates,has disorder","298973","2025-04-05","03:32:27",""
"1573173","24.8645","0.0011","24.8645","0.0011","66.598","0.006","90","","90","","120","","35658","4","150","2","150","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C163 H113 Cu17 F54 N13 O2 P3 S24 -","- C162.998 H112.997 Cu17 F54 N12.9999 O1.9998 P3 S24 -","- C977.989 H677.983 Cu102 F324 N77.9994 O11.9988 P18 S144 -","6","0.333333","","Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba K.","Analogous copper nanoclusters (Cu<sub>16/17</sub>) with two electron superatomic and mixed valence copper(II)/copper(I) and copper(I)/copper(0) characters.","Nanoscale","2025","17","2","982","991","10.1039/d4nr03578j","","","0.71073","MoKα","","0.0767","0.0554","","","0.1437","0.1587","","","","","","1.103","","","","has coordinates,has disorder","298973","2025-04-05","03:32:27",""
"1573239","21.868","0.003","22.557","0.003","22.892","0.003","90","","90","","90","","11292","3","273.15","","273.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H54 Ag6 F9 N5 O7 S3 -","- C36 H45 Ag6 F9 N4 O6 S3 -","- C288 H360 Ag48 F72 N32 O48 S24 -","8","1","","Nakatani, Riki; Sakai, Jin; Saha, Aishik; Kondo, Ayumu; Tomioka, Rina; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi","Designed construction of two new atom-precise three-dimensional and two-dimensional Ag<sub>12</sub> cluster-assembled materials.","Nanoscale","2025","17","2","813","822","10.1039/d4nr03992k","","","0.71073","MoKα","","0.1018","0.0531","","","0.099","0.1173","","","","","","0.964","","","","has coordinates","298972","2025-04-05","03:31:43",""
"1573240","24.5604","0.0004","24.5604","0.0004","21.6065","0.0006","90","","90","","120","","11287.2","0.4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H23 Ag2 F3 N O3.5 S -","- C15 H14 Ag2 F3 N O2 S -","- C270 H252 Ag36 F54 N18 O36 S18 -","18","1","","Nakatani, Riki; Sakai, Jin; Saha, Aishik; Kondo, Ayumu; Tomioka, Rina; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi","Designed construction of two new atom-precise three-dimensional and two-dimensional Ag<sub>12</sub> cluster-assembled materials.","Nanoscale","2025","17","2","813","822","10.1039/d4nr03992k","","x-ray","1.54184","CuKα","","0.0417","0.0379","","","0.1049","0.1076","","","","","","1.07","","","","has coordinates","298972","2025-04-05","03:31:55",""
"1573257","14.6673","0.0005","17.9434","0.0003","16.4154","0.0005","90","","115.109","0.004","90","","3912","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 N Ni S8 -","- C32 H60 N Ni S8 -","- C128 H240 N4 Ni4 S32 -","4","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes.","Nanoscale","2025","17","3","1350","1361","10.1039/d4nr04048a","","","1.54184","CuKα","","0.0706","0.0619","","","0.1601","0.1677","","","","","","1.046","","","","has coordinates,has disorder","298980","2025-04-05","03:34:06",""
"1573258","14.6382","0.0002","14.6382","0.0002","20.8242","0.0004","90","","90","","90","","4462.15","0.12","150","0.3","150","0.3","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Ni S8 -","- C16 H24 Ni S8 -","- C128 H192 Ni8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes.","Nanoscale","2025","17","3","1350","1361","10.1039/d4nr04048a","","","1.54184","CuKα","","0.042","0.039","","","0.1013","0.106","","","","","","1.046","","","","has coordinates","298980","2025-04-05","03:34:07",""
"1573259","14.2738","0.0007","14.2738","0.0007","21.703","0.0011","90","","90","","90","","4421.8","0.4","149.9","0.4","149.9","0.4","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Ni S8 -","- C16 H21 Ni S8 -","- C128 H168 Ni8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes.","Nanoscale","2025","17","3","1350","1361","10.1039/d4nr04048a","","","1.54184","CuKα","","0.1196","0.0981","","","0.2576","0.29","","","","","","1.027","","","","has coordinates,has disorder","298980","2025-04-05","03:34:07",""
"1573260","14.313","0.0004","14.313","0.0004","21.769","0.0007","90","","90","","90","","4459.6","0.2","150","0.1","150","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Pt S8 -","- C16 H24 Pt S8 -","- C128 H192 Pt8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes.","Nanoscale","2025","17","3","1350","1361","10.1039/d4nr04048a","","","1.54184","CuKα","","0.0648","0.0505","","","0.1253","0.1359","","","","","","1.036","","","","has coordinates,has disorder","298980","2025-04-05","03:34:07",""
"1573261","14.7208","0.0002","14.7208","0.0002","20.8598","0.0005","90","","90","","90","","4520.36","0.14","150","0.4","150","0.4","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C16 H24 Pt S8 -","- C16 H24 Pt S8 -","- C128 H192 Pt8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, HengBo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes.","Nanoscale","2025","17","3","1350","1361","10.1039/d4nr04048a","","","1.54184","CuKα","","0.0475","0.0445","","","0.1027","0.1049","","","","","","1.043","","","","has coordinates","298980","2025-04-05","03:34:07",""
"1573304","5.92744","0.00009","13.7395","0.0003","20.7053","0.0004","79.4971","0.0016","83.0769","0.0013","85.9397","0.0013","1643.84","0.05","139.99","0.1","139.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39 Au3 N6 -","- C36 H39 Au3 N6 -","- C72 H78 Au6 N12 -","2","1","","Solea, Atena B.; Dermutas, Davide; Fadaei-Tirani, Farzaneh; Leanza, Luigi; Delle Piane, Massimo; Pavan, Giovanni M.; Severin, Kay","Nano onions based on an amphiphilic Au<sub>3</sub>(pyrazolate)<sub>3</sub> complex.","Nanoscale","2025","17","2","1007","1012","10.1039/d4nr03901g","","x-ray","1.54184","CuKα","","0.0372","0.0306","","","0.0789","0.0814","","","","","","1.083","","","","has coordinates","298974","2025-04-05","03:32:35",""
"1573388","18.2605","0.0007","21.6169","0.0008","18.9717","0.0007","90","","96.372","0.001","90","","7442.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C74 H172 Ag16 Cl4 O24 P12 Pd S26 -","- C74 H172 Ag16 Cl4 O24 P12 Pd S26 -","- C148 H344 Ag32 Cl8 O48 P24 Pd2 S52 -","2","0.5","","Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W.","Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters.","Nanoscale","2025","17","4","1990","1996","10.1039/d4nr04136d","","","0.71073","MoKα","","0.0376","0.0314","","","0.0762","0.0806","","","","","","1.047","","","","has coordinates,has disorder","298971","2025-04-05","03:31:23",""
"1573389","26.454","0.003","27.073","0.003","23.35","0.003","90","","90","","90","","16723","3","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C96 H216 Ag16 O24 P12 Pd S26 -","- C96 H216 Ag16 O24 P12 Pd S26 -","- C384 H864 Ag64 O96 P48 Pd4 S104 -","4","0.5","","Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W.","Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters.","Nanoscale","2025","17","4","1990","1996","10.1039/d4nr04136d","","","0.71073","MoKα","","0.0892","0.0806","","","0.1645","0.17","","","","","","1.357","","","","has coordinates,has disorder","298971","2025-04-05","03:31:23",""
"1573390","15.605","0.005","18.06","0.005","18.102","0.008","119.776","0.006","93.951","0.01","103.556","0.007","4200","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H216 Ag14 O24 P12 Pd6 S25 -","- C96 H216 Ag14 O24 P12 Pd6 S25 -","- C96 H216 Ag14 O24 P12 Pd6 S25 -","1","0.5","","Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W.","Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters.","Nanoscale","2025","17","4","1990","1996","10.1039/d4nr04136d","","","0.71073","MoKα","","0.1024","0.0647","","","0.1816","0.2312","","","","","","1.068","","","","has coordinates,has disorder","298971","2025-04-05","03:31:23",""
"1573527","6.6911","0.0002","21.7491","0.0008","12.1069","0.0005","90","","103.068","0.002","90","","1716.23","0.11","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Cl2 O2 P S -","- C16 H21 Cl2 O2 P S -","- C64 H84 Cl8 O8 P4 S4 -","4","1","","Bouzid, Moad; Poinsot, Didier; Mboyi, Clève D; Ochmann, Lukas; Domenichini, Bruno; Schreiner, Peter R.; Hierso, Jean-Cyrille","Sulfur functionalized diamondoid phosphines enable building nanocomposites interfacing sp<sup>3</sup>-carbon and gold nanolayers.","Nanoscale","2025","17","7","4123","4131","10.1039/d4nr03511a","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0556","0.0363","","","0.0754","0.0834","","","","","","1.08","","","","has coordinates","298975","2025-04-05","03:32:47",""
"1573528","7.7405","0.0004","13.6302","0.0007","12.6387","0.0006","90","","104.82","0.003","90","","1289.08","0.11","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 P S -","- C14 H21 P S -","- C56 H84 P4 S4 -","4","1","","Bouzid, Moad; Poinsot, Didier; Mboyi, Clève D; Ochmann, Lukas; Domenichini, Bruno; Schreiner, Peter R.; Hierso, Jean-Cyrille","Sulfur functionalized diamondoid phosphines enable building nanocomposites interfacing sp<sup>3</sup>-carbon and gold nanolayers.","Nanoscale","2025","17","7","4123","4131","10.1039/d4nr03511a","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0613","0.0375","","","0.0913","0.1051","","","","","","1.021","","","","has coordinates,has disorder","298975","2025-04-05","03:32:47",""
"1573714","10.8473","0.0005","12.4152","0.0005","13.176","0.0006","99.7051","0.0008","91.9863","0.0009","103.746","0.0009","1693.76","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H42 N12 O58 Si W12 -","- C24 H42 N12 O58 Si W12 -","- C24 H42 N12 O58 Si W12 -","1","0.5","","Greijer, Björn; Nefedova, Alexandra; Agback, Tatiana; Agback, Peter; Kisand, Vambola; Rausalu, Kai; Vanetsev, Alexander; Seisenbaeva, Gulaim A.; Ivask, Angela; Kessler, Vadim G.","Molecular mechanisms behind the anti corona virus activity of small metal oxide nanoparticles.","Nanoscale","2025","17","7","3728","3738","10.1039/d4nr03730h","","","0.71073","MoKα","","0.0666","0.0655","","","0.1564","0.157","","","","","","1.181","","","","has coordinates","298976","2025-04-05","03:33:02",""
"1573715","32.191","0.003","14.8183","0.0012","15.3532","0.0013","90","","91.018","0.002","90","","7322.6","1.1","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 N6 O56 S3 Si W12 -","- C24 H42 N6 O54 S3 Si W12 -","- C96 H168 N24 O216 S12 Si4 W48 -","4","1","","Greijer, Björn; Nefedova, Alexandra; Agback, Tatiana; Agback, Peter; Kisand, Vambola; Rausalu, Kai; Vanetsev, Alexander; Seisenbaeva, Gulaim A.; Ivask, Angela; Kessler, Vadim G.","Molecular mechanisms behind the anti corona virus activity of small metal oxide nanoparticles.","Nanoscale","2025","17","7","3728","3738","10.1039/d4nr03730h","","","0.71073","MoKα","","0.1115","0.0745","","","0.1789","0.1945","","","","","","1.06","","","","has coordinates","298976","2025-04-05","03:33:02",""
"1573753","13.61196","0.00017","6.63372","0.00006","5.94002","0.00005","90","","99.6952","0.001","90","","528.711","0.009","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ag-MPA","[Ag(SC2H4COOH]n","- C3 H5 Ag O2 S -","- C3 H5 Ag O2 S -","- C12 H20 Ag4 O8 S4 -","4","1","","Zhang, Shengrui; Yu, Zhongqi; Demessence, Aude; Guillou, Nathalie; Xu, Shujue; Liu, Han; Fu, Yuru; Zhang, Jingpei; Li, Minjie","Self-assembly processes of 2D Au(I)-S(CH<sub>2</sub>)<sub>2</sub>COOH lamellae.","Nanoscale","2025","17","9","5270","5279","10.1039/d4nr05118a","powder diffraction","","0.6887","X-raysynchrotron","","","","","","","","","0.016","2.9","","","","","","","has coordinates","298977","2025-04-05","03:33:10",""
"1573789","16.7465","0.0005","17.5624","0.0005","26.3391","0.0007","99.096","0.002","90.215","0.002","91.009","0.002","7647.8","0.4","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C124 H149 Au6 N20 P4 Pd3 S10 -","- C124 H149 Au6 N20 P4 Pd3 S10 -","- C248 H298 Au12 N40 P8 Pd6 S20 -","2","1","","Fu, Ziwei; Li, Chen; Tian, Ye; Alam, Fakhari; Hu, Daqiao; Shen, Honglei; Kang, Xi; Zhu, Manzhou","Heteroatom number-dependent cluster frameworks in structurally comparable Pd-Au nanoclusters.","Nanoscale","2025","17","8","4494","4501","10.1039/d4nr05222f","","x-ray","1.54186","CuKα","","0.0959","0.076","","","0.206","0.2261","","","","","","0.961","","","","has coordinates","298970","2025-04-05","03:31:04",""
"1573790","17.13","0.003","53.449","0.011","17.415","0.004","90","","90.68","0.03","90","","15944","6","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C254 H309.49 Au12 N40 P8 Pd5 S20 -","- C254 H309.4 Au12 N40 P8 Pd5 S20 -","- C508 H618.8 Au24 N80 P16 Pd10 S40 -","2","0.5","","Fu, Ziwei; Li, Chen; Tian, Ye; Alam, Fakhari; Hu, Daqiao; Shen, Honglei; Kang, Xi; Zhu, Manzhou","Heteroatom number-dependent cluster frameworks in structurally comparable Pd-Au nanoclusters.","Nanoscale","2025","17","8","4494","4501","10.1039/d4nr05222f","","","1.54178","CuKα","","0.0775","0.065","","","0.1759","0.1854","","","","","","1.052","","","","has coordinates,has disorder","298970","2025-04-05","03:31:04",""
"1573817","14.4294","0.0003","24.0473","0.0004","18.0186","0.0004","90","","92.752","0.002","90","","6245","0.2","99.96","0.18","99.96","0.18","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C130 H100 Cl4 Cu4 F12 N8 P6 Pt2 -","- C130 H100 Cl4 Cu4 F12 N8 P6 Pt2 -","- C260 H200 Cl8 Cu8 F24 N16 P12 Pt4 -","2","0.5","","Hu, Xue-Ning; Zhong, Xu-Hang; Zhong, Rui-Ru; Zhang, Lin-Mei; Hao, De-Bo; Xu, Qian; Wei, Hui-Zhi; Zhou, Rui; Wei, Jianyu; Liu, Kuan-Guan; Yuan, Shang-Fu; Li, Dong-Sheng; Wu, Tao","Significantly enhanced NIR emission of solid-state clusters based on Cu<sub>4</sub>Pt<sub>2</sub> triggered with volatile organic compounds.","Nanoscale","2025","17","10","5829","5837","10.1039/d4nr04371e","","x-ray","1.54184","CuKα","","0.122","0.1151","","","0.2978","0.3013","","","","","","1.191","","","","has coordinates","298968","2025-04-05","03:30:06",""
"1573856","9.639","0.003","9.806","0.003","14.785","0.004","89.903","0.009","89.916","0.009","81.105","0.009","1380.7","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","2","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.0897","0.0595","","","0.1643","0.1966","","","","","","1.141","","","","has coordinates","298978","2025-04-05","03:33:32",""
"1573857","18.691","0.002","3.898","0.0005","26.717","0.003","90","","90.349","0.004","90","","1946.5","0.4","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C104 H72 N8 O16 -","8","2","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.13","0.0832","","","0.1479","0.1689","","","","","","1.185","","","","has coordinates","299663","2025-05-14","10:18:01",""
"1573858","7.0702","0.0013","18.754","0.004","16.522","0.003","90","","96.935","0.005","90","","2174.7","0.7","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.0788","0.0546","","","0.1631","0.1948","","","","","","1.339","","","","has coordinates","298978","2025-04-05","03:33:33",""
"1573859","11.0018","0.0007","5.4073","0.0003","15.6669","0.001","90","","108.949","0.002","90","","881.52","0.09","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N O2 -","- C12 H7 N O2 -","- C48 H28 N4 O8 -","4","1","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.046","0.0394","","","0.1405","0.1625","","","","","","1.406","","","","has coordinates","298978","2025-04-05","03:33:33",""
"1573860","9.3455","0.0009","6.8284","0.0006","19.0394","0.0017","90","","97.03","0.003","90","","1205.86","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.0879","0.0599","","","0.1612","0.1911","","","","","","1.041","","","","has coordinates","298978","2025-04-05","03:33:33",""
"1573861","8.2305","0.0004","16.3481","0.0009","11.3549","0.0006","90","","103.244","0.001","90","","1487.2","0.13","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.0638","0.0542","","","0.1431","0.1575","","","","","","1.064","","","","has coordinates","298978","2025-04-05","03:33:33",""
"1573862","4.7154","0.001","12.531","0.003","22.215","0.004","90","","90","","90","","1312.7","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan","Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.","Nanoscale","2025","17","11","6685","6694","10.1039/d5nr00163c","","","0.71073","MoKα","","0.0647","0.0471","","","0.109","0.1213","","","","","","1.045","","","","has coordinates","298978","2025-04-05","03:33:33",""
"1573878","15.9413","0.0008","9.245","0.0005","16.0151","0.0008","90","","110.54","0.002","90","","2210.2","0.2","110","","110","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 Br4 N2 O2 -","- C20 H18 Br4 N2 O2 -","- C80 H72 Br16 N8 O8 -","4","1","","Jeba Silviya, S. Benita; Ruphina Maragatham, S. Michlin; Andrews, S. G. Jebastin; Bhuvanesh, Nattamai S. P.; Jebaraj, J. Winfred; Balakrishnan, Chithiraivel","A robust PET-based chiral Schiff base molecular probe for recognition of Hg<sup>2+</sup> and Pb<sup>2+</sup> and its application in live cell imaging.","Analytical methods : advancing methods and applications","2025","17","10","2342","2354","10.1039/d5ay00098j","","","0.71073","MoKα","","0.0246","0.0187","","","0.0415","0.043","","","","","","1.051","","","","has coordinates","298738","2025-04-05","01:58:25",""
"1573943","11.3993","0.0002","21.628","0.0003","21.962","0.0003","90","","93.759","0.001","90","","5402.95","0.14","110.01","0.1","110.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H50 Ag2 Au2 P2 -","- C68 H50 Ag2 Au2 P2 -","- C272 H200 Ag8 Au8 P8 -","4","1","","Shehzad, Aamir; Yi, Qiuhao; Cui, Chaonan; Luo, Zhixun","Electrocatalytic nitrogen reduction to ammonia by graphene-supported Au<sub>4</sub>Cu<sub>2</sub> and Au<sub>2</sub>Ag<sub>2</sub> nanoclusters.","Nanoscale","2025","17","12","7453","7459","10.1039/d4nr05341a","","x-ray","0.71073","MoKα","","0.031","0.0259","","","0.0598","0.0612","","","","","","1.027","","","","has coordinates","298979","2025-04-05","03:33:53",""
"1573944","13.1746","0.0008","12.7141","0.0008","39.686","0.004","90","","94.67","0.007","90","","6625.5","0.9","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26.33333 H20.66667 Au Cl0.66667 P -","- C26.3333 H20.6667 Au Cl0.666667 P -","- C316 H248 Au12 Cl8 P12 -","12","3","","Shehzad, Aamir; Yi, Qiuhao; Cui, Chaonan; Luo, Zhixun","Electrocatalytic nitrogen reduction to ammonia by graphene-supported Au<sub>4</sub>Cu<sub>2</sub> and Au<sub>2</sub>Ag<sub>2</sub> nanoclusters.","Nanoscale","2025","17","12","7453","7459","10.1039/d4nr05341a","","x-ray","0.71073","MoKα","","0.207","0.156","","","0.3465","0.3686","","","","","","1.095","","","","has coordinates","299663","2025-05-14","10:18:01",""
"1573945","12.6398","0.0006","16.7456","0.0009","18.52","0.0009","88.962","0.004","76.498","0.004","69.963","0.004","3572.7","0.3","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H60 Au4 Cu2 P2 -","- C84 H60 Au4 Cu2 P2 -","- C168 H120 Au8 Cu4 P4 -","2","1","","Shehzad, Aamir; Yi, Qiuhao; Cui, Chaonan; Luo, Zhixun","Electrocatalytic nitrogen reduction to ammonia by graphene-supported Au<sub>4</sub>Cu<sub>2</sub> and Au<sub>2</sub>Ag<sub>2</sub> nanoclusters.","Nanoscale","2025","17","12","7453","7459","10.1039/d4nr05341a","","x-ray","0.71073","MoKα","","0.0851","0.0517","","","0.12","0.1306","","","","","","1.056","","","","has coordinates","298979","2025-04-05","03:33:53",""
"1574029","64.631","0.016","22.2308","0.0018","32.333","0.004","90","","106.89","0.02","90","","44452","14","173","0.1","173","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C168 H168 Au36 S24 -","- C168 H165 Au36 S24 -","- C1344 H1320 Au288 S192 -","8","1","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54178","CuKα","","0.1636","0.0819","","","0.2032","0.2675","","","","","","0.94","","","","has coordinates,has disorder","298981","2025-04-05","03:35:18",""
"1574030","25.2346","0.0002","25.2346","0.0002","17.8151","0.0002","90","","90","","90","","11344.4","0.18","173","0.1","173","0.1","","","","","","","","5","I -4","I -4","82","","","","- C168 H168 Au36 O24 S24 -","- C168 H168 Au36 O24 S24 -","- C336 H336 Au72 O48 S48 -","2","0.25","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54184","CuKα","","0.0472","0.0468","","","0.128","0.1285","","","","","","1.095","","","","has coordinates","298981","2025-04-05","03:35:18",""
"1574031","19.579","0.0007","30.2707","0.0011","37.2286","0.0011","90","","94.218","0.003","90","","22004.5","1.3","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C192 H216 Au36 S24 -","- C192 H186 Au36 S24 -","- C768 H744 Au144 S96 -","4","1","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54184","CuKα","","0.2292","0.0882","","","0.166","0.241","","","","","","0.914","","","","has coordinates","298981","2025-04-05","03:35:18",""
"1574032","20.1507","0.0003","61.3884","0.0007","20.3138","0.0005","90","","92.729","0.002","90","","25100.1","0.8","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C240 H168 Au36 S24 -","- C235 H157.5 Au36 S24 -","- C940 H630 Au144 S96 -","4","2","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54178","CuKα","","0.103","0.0757","","","0.1843","0.2062","","","","","","1.003","","","","has coordinates,has disorder","298981","2025-04-05","03:35:18",""
"1574033","18.9703","0.0003","19.2923","0.0004","28.0221","0.0007","82.1999","0.0018","75.0794","0.0019","88.529","0.0014","9817.6","0.4","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C168 H168 Au36 S24 -","- C168 H162 Au36 S24 -","- C336 H324 Au72 S48 -","2","1","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54184","CuKα","","0.1144","0.0685","","","0.1496","0.175","","","","","","1.019","","","","has coordinates,has disorder","298981","2025-04-05","03:35:18",""
"1574034","19.4037","0.0003","32.0462","0.0005","19.7066","0.0002","90","","90.054","0.001","90","","12253.9","0.3","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C192 H216 Au36 S24 -","- C192 H216 Au36 S24 -","- C384 H432 Au72 S48 -","2","1","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54178","CuKα","","0.0561","0.0551","","","0.1429","0.1439","","","","","","1.031","","","","has coordinates","298981","2025-04-05","03:35:18",""
"1574035","19.0323","0.0004","19.229","0.0006","30.6431","0.0009","81.994","0.003","87.439","0.002","66.468","0.003","10180.9","0.5","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C144 H96 Au36 Cl24 S24 -","- C144 H96 Au36 Cl24 S24 -","- C288 H192 Au72 Cl48 S48 -","2","1","","Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming","Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.","Nanoscale","2025","17","14","8724","8730","10.1039/d5nr00203f","","","1.54184","CuKα","","0.1169","0.0812","","","0.2077","0.2379","","","","","","1.035","","","","has coordinates,has disorder","298981","2025-04-05","03:35:18",""
"1574202","19.411","0.013","20.798","0.016","27.8","0.017","81.778","0.018","75.137","0.015","83.738","0.018","10705","13","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C183 H177 Ag14 O21 P7 Pt S6 -","- C183 H177 Ag14 O21 P7 Pt S6 -","- C366 H354 Ag28 O42 P14 Pt2 S12 -","2","1","","Liu, Tingting; Li, Yuansheng; Zuo, Yang; Ma, Along; Wang, Yifei; Zhang, Shuo; Ma, Xiaoshuang; Yin, Zhengmao; Yang, Junxian; Wang, Shuxin","Impact of free valence electron contraction on the optical and electrocatalytic properties of nanoclusters: based on M<sub>1</sub>Ag<sub>14</sub> (M = Pt/Pd) series nanoclusters.","Nanoscale","2025","17","17","10886","10891","10.1039/d5nr00336a","","","0.71073","MoKα","","0.2266","0.0966","","","0.2076","0.2467","","","","","","0.862","","","","has coordinates","301024","2025-07-06","17:24:50",""
"1574242","14.4693","0.0004","9.1908","0.0003","19.4408","0.0006","90","","99.968","0.003","90","","2546.3","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Br2 Cl2 N4 Pd -","- C23 H26 Br2 Cl2 N4 Pd -","- C92 H104 Br8 Cl8 N16 Pd4 -","4","0.5","","Lodge, Rhys W.; Cull, William J.; Weilhard, Andreas; Argent, Stephen P.; Alves Fernandes, Jesum; Khlobystov, Andrei N.","A nanoscale chemical oscillator: reversible formation of palladium nanoparticles in ionic liquid.","Nanoscale","2025","17","16","10105","10116","10.1039/d4nr04150j","","x-ray","0.71073","MoKα","","0.0495","0.0357","","","0.0731","0.0801","","","","","","1.165","","","","has coordinates","301025","2025-07-06","17:25:09",""
"1574243","8.5019","0.0006","31.998","0.002","9.5689","0.0006","90","","109.195","0.002","90","","2458.4","0.3","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H N O -","- C2.53061 H1.95918 N0.163265 O0.408163 -","- C124 H96 N8 O20 -","49","12.25","","Banik, Dipanjan; Banerjee, Shilpita; Halder, Satyajit; Ganguly, Rajdeep; Karak, Anirban; Ghosh, Pintu; Jana, Kuladip; Mahapatra, Ajit Kumar","A dual-responsive ratiometric fluorescent probe for the detection of hypochlorite and hydrazine in environmental samples, live cells, and plant tissues.","Analytical methods : advancing methods and applications","2025","17","16","3290","3304","10.1039/d5ay00153f","","","0.71073","MoKα","","0.1037","0.0511","","","0.1351","0.1926","","","","","","0.95","","","","has coordinates","300385","2025-07-06","12:36:54",""
"1574427","23.9383","0.0007","10.5614","0.0003","31.7091","0.0009","90","","111.457","0.001","90","","7461.1","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 Cl2 P2 Pd -","- C54 H66 Cl2 P2 Pd -","- C324 H396 Cl12 P12 Pd6 -","6","1.5","","Qadir, Muhammad I.; Chacón-Rosales, Gustavo; Ebersol, Camila P.; Abarca, Gabriel; Matias, Pedro H. F.; de Oliveira, Heibbe Cristhian B.; Pontes, Renato B.; Stieler, Rafael; Dupont, Jairton","Surface palladium nanoparticles in ionic liquids modified with phosphorus ligands for enhanced catalytic semi-hydrogenation.","Nanoscale","2025","17","28","16705","16712","10.1039/d5nr00789e","","","0.71073","MoKα","","0.0723","0.0556","","","0.1226","0.1336","","","","","","1.16","","","","has coordinates","301613","2025-08-05","22:16:16",""
"1574565","7.294","0.0003","7.2975","0.0003","11.5957","0.0005","100.092","0.0015","95.3125","0.0014","118.993","0.0013","520.1","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 N6 O7 S2 -","- C14 H24 N6 O7 S2 -","- C14 H24 N6 O7 S2 -","1","0.5","","Spencer, Rochelle B.; Yusov, Anna; Dillon, Alexandra M.; Tiwari, Akash; Arteaga, Oriol; Sburlati, Sophia; Whittaker, St John; Wu, Wantong; Chen, Sixian; Shtukenberg, Alexander G.; Ward, Michael D.; Kahr, Bart; Lee, Stephanie S.","Guest removal from ring-banded guanidinium organosulfonate hydrogen-bonded frameworks.","Nanoscale","2025","17","22","13727","13736","10.1039/d5nr00467e","","x-ray","0.71073","MoKα","","0.0356","0.0325","","","0.0924","0.0946","","","","","","1.085","","","","has coordinates,has disorder","301023","2025-07-06","17:24:35",""
"1574616","9.5187","0.0004","20.2959","0.0011","27.6279","0.0014","90","","97.854","0.001","90","","5287.4","0.5","249","","249","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H48 N12 O6 Zn -","- C63 H48 N12 O6 Zn -","- C252 H192 N48 O24 Zn4 -","4","1","","Wang, Rongqi; Wang, Ruxue; Chen, Zeqin; Li, Laiwen; Zong, Xinyu; Wang, Jing; Zong, Ziao","A stable Zn-coordination polymer for the quantitative and selective detection of biomarker phenylglyoxylic acid in urine.","Analytical methods : advancing methods and applications","2025","17","22","4639","4645","10.1039/d5ay00405e","","","0.71073","MoKα","","0.0847","0.048","","","0.1053","0.1264","","","","","","1.053","","","","has coordinates","300384","2025-07-06","12:36:40",""
"1574642","30.227","0.004","17.3463","0.0019","33.229","0.004","90","","112.607","0.003","90","","16084","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H186 Ag19 O28 P12 Rh Se24 -","- C76 H186 Ag19 O28 P12 Rh Se24 -","- C304 H744 Ag76 O112 P48 Rh4 Se96 -","4","1","","Chiu, Tzu-Hao; Pillay, Michael N.; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Rhodium-silver superatomic nanoclusters stabilized by diselenophosphate ligands.","Nanoscale","2025","17","21","13502","13509","10.1039/d5nr01190f","","","0.71073","MoKα","","0.1146","0.0767","","","0.1552","0.1709","","","","","","1.122","","","","has coordinates,has disorder","301026","2025-07-06","17:25:53",""
"1574643","32.578","0.002","32.578","0.002","32.578","0.002","90","","90","","90","","34576","4","100","2","100","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C72 H169 Ag20 O24 P12 Rh Se24 -","- C72 H169 Ag20 O24 P12 Rh Se24 -","- C576 H1352 Ag160 O192 P96 Rh8 Se192 -","8","0.333333","","Chiu, Tzu-Hao; Pillay, Michael N.; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Rhodium-silver superatomic nanoclusters stabilized by diselenophosphate ligands.","Nanoscale","2025","17","21","13502","13509","10.1039/d5nr01190f","","","0.71073","MoKα","","0.0906","0.0592","","","0.1234","0.1469","","","","","","1.078","","","","has coordinates","301026","2025-07-06","17:25:53",""
"1574644","16.0696","0.0011","18.3134","0.0017","29.837","0.002","81.936","0.002","76.8308","0.0016","64.9124","0.0015","7733.7","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H168 Ag21 O24 P12 Rh Se24 -","- C72 H168 Ag21 O24 P12 Rh Se24 -","- C144 H336 Ag42 O48 P24 Rh2 Se48 -","2","1","","Chiu, Tzu-Hao; Pillay, Michael N.; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Rhodium-silver superatomic nanoclusters stabilized by diselenophosphate ligands.","Nanoscale","2025","17","21","13502","13509","10.1039/d5nr01190f","","","0.71073","MoKα","","0.0938","0.0576","","","0.1197","0.1396","","","","","","1.023","","","","has coordinates,has disorder","301026","2025-07-06","17:25:53",""
"1574742","17.1268","0.0007","20.8958","0.0009","27.5204","0.0012","90","","90","","90","","9849","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H47 Fe3 N2 O18 -","- C49 H47 Fe3 N2 O18 -","- C392 H376 Fe24 N16 O144 -","8","1","","Dhillon, Arshminder Kaur; Jhilta, Agrim; Ladhi, Ritu; Bagdwal, Harshita; Singh, Ashi; Verma, Rahul K.; Singh, Monika","A biomimetic Fe(III)-metal-organic framework nanosphere-based dual modal probe for aqueous and intracellular sensing of nicotine and its metabolite cotinine.","Nanoscale","2025","17","24","14630","14636","10.1039/d5nr00785b","","","0.71073","MoKα","","0.0593","0.0431","","","0.1094","0.124","","","","","","1.068","","","","has coordinates","301022","2025-07-06","17:24:22",""
"1574775","10.7014","0.0006","13.0096","0.0006","13.6186","0.0007","90.271","0.004","111.301","0.005","98.392","0.004","1744.12","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.42 H2.12 N0.3 O0.12 -","- C2.42424 H2.12121 N0.30303 O0.121212 -","- C80 H70 N10 O4 -","33","16.5","","Kumar, Ram; Singh, Bholey; Kakkar, Rita; Mittal, Avneesh; Pani, Balaram","Rhodamine-based turn-on fluorescent and colorimetric chemosensor for selective Pb<sup>2+</sup> detection: insights from crystal structure, molecular docking, real sample analysis, and logic gate applications.","Analytical methods : advancing methods and applications","2025","17","23","4812","4830","10.1039/d5ay00482a","","","0.71073","MoKα","","0.0987","0.0718","","","0.2092","0.2292","","","","","","1.093","","","","has coordinates","300386","2025-07-06","12:37:07",""
"1574898","12.1027","0.0003","23.1001","0.0005","13.4641","0.0003","90","","100.031","0.002","90","","3706.67","0.15","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C140 H120 Ag8 Cl8 N16 O24 P8 -","4","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0354","0.0258","","","0.0568","0.0599","","","","","","1.051","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574899","12.1045","0.0003","23.0824","0.0006","13.4651","0.0004","90","","99.943","0.003","90","","3705.65","0.18","170.01","0.1","170.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H60 Ag4 Cl4 N8 O12 P4 -","- C70 H60 Ag4 Cl4 N8 O12 P4 -","- C140 H120 Ag8 Cl8 N16 O24 P8 -","2","0.5","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0382","0.0291","","","0.0685","0.0716","","","","","","1.069","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574900","11.8363","0.0004","12.1943","0.0004","13.6499","0.0005","85.2","0.003","72.917","0.003","78.512","0.003","1844.85","0.12","170.01","0.1","170.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C70 H60 Ag4 Cl4 N8 O12 P4 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0381","0.0294","","","0.0716","0.0755","","","","","","1.087","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574901","12.0949","0.0003","23.1016","0.0006","13.4621","0.0004","90","","99.92","0.003","90","","3705.23","0.18","170","4","170","4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H60 Ag4 Cl4 N8 O12 P4 -","- C70 H60 Ag4 Cl4 N8 O12 P4 -","- C140 H120 Ag8 Cl8 N16 O24 P8 -","2","0.5","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.047","0.0349","","","0.0868","0.0908","","","","","","1.042","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574902","13.9512","0.0006","13.9512","0.0006","51.4858","0.0019","90","","90","","120","","8678.4","0.6","170","0.1","170","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C68 H56 Ag N4 P4 -","- C68.0001 H56.0001 Ag N3.9999 P4 -","- C408.001 H336.001 Ag6 N23.9994 P24 -","6","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.1727","0.1187","","","0.3111","0.3508","","","","","","1.047","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574903","12.0844","0.0003","12.6564","0.0004","19.7598","0.0004","96.807","0.002","92.743","0.002","116.31","0.003","2672.83","0.14","170.01","0.1","170.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H46 Ag2 Cl4 N5 O6 P3 -","- C53 H46 Ag2 Cl4 N5 O6 P3 -","- C106 H92 Ag4 Cl8 N10 O12 P6 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0395","0.0316","","","0.08","0.0844","","","","","","1.109","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574904","13.9512","0.0006","13.9512","0.0006","51.4858","0.0019","90","","90","","120","","8678.4","0.6","170","0.1","170","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C60 H48 Ag N12 P4 -","- C60 H48 Ag N12 P4 -","- C360 H288 Ag6 N72 P24 -","6","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.2127","0.1426","","","0.3764","0.4233","","","","","","1.196","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574905","23.4191","0.0003","23.3178","0.0003","23.2829","0.0004","90","","91.001","0.001","90","","12712.4","0.3","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H56 Ag4 Cl4 N4 P4 -","- C68 H56 Ag4 Cl4 N4 P4 -","- C544 H448 Ag32 Cl32 N32 P32 -","8","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0354","0.0296","","","0.0649","0.0665","","","","","","1.118","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574906","12.1131","0.0003","23.0872","0.0006","13.4732","0.0004","90","","99.908","0.002","90","","3711.69","0.17","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C35 H30 Ag2 Cl2 N4 O6 P2 -","- C140 H120 Ag8 Cl8 N16 O24 P8 -","4","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0438","0.0324","","","0.0816","0.086","","","","","","1.042","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574907","11.9246","0.0005","13.9944","0.0004","19.0615","0.0007","89.788","0.003","89.154","0.003","82.33","0.003","3152.1","0.2","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C70 H62 Ag Cl2 N5 O4 P4 -","- C70 H62 Ag Cl2 N5 O4 P4 -","- C140 H124 Ag2 Cl4 N10 O8 P8 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0739","0.063","","","0.181","0.189","","","","","","1.063","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574908","11.9103","0.0003","13.7805","0.0004","19.6808","0.0005","91.203","0.002","91.613","0.002","96.934","0.002","3204.34","0.15","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C70.79 H63.59 Ag Cl1.59 N5 O4 P4 -","- C70.794 H63.588 Ag Cl1.588 N5 O4 P4 -","- C141.588 H127.176 Ag2 Cl3.176 N10 O8 P8 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0475","0.0399","","","0.1089","0.1128","","","","","","1.033","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574909","11.9418","0.0006","13.8033","0.0007","19.6503","0.0009","90.997","0.004","91.482","0.004","96.769","0.004","3214.7","0.3","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C70 H58 Ag Cl2 N4 O3 P4 -","- C70 H58 Ag Cl2 N4 O3 P4 -","- C140 H116 Ag2 Cl4 N8 O6 P8 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.1735","0.1139","","","0.2995","0.3364","","","","","","1.048","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574910","12.9844","0.0006","13.1743","0.0005","14.0881","0.0005","89.488","0.003","68.446","0.004","86.972","0.004","2238.12","0.17","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H43 Ag Cl2 N3 P3 -","- C51.5 H43 Ag Cl2 N3 P3 -","- C103 H86 Ag2 Cl4 N6 P6 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0671","0.0437","","","0.1113","0.1196","","","","","","1.054","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574911","12.743","0.0004","12.7623","0.0005","16.6375","0.0006","79.654","0.003","74.705","0.003","64.242","0.004","2344.01","0.17","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C104 H88 Ag2 Cl5 N6 P6 -","- C104 H88 Ag2 Cl5 N6 P6 -","- C104 H88 Ag2 Cl5 N6 P6 -","1","0.5","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0683","0.0546","","","0.1436","0.1505","","","","","","1.043","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574912","13.0055","0.0004","13.185","0.0003","14.0637","0.0004","89.567","0.002","68.565","0.003","87.069","0.002","2241.71","0.12","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H43 Ag Cl2 N3 P3 -","- C51.5 H43 Ag Cl2 N3 P3 -","- C103 H86 Ag2 Cl4 N6 P6 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0463","0.035","","","0.0888","0.0937","","","","","","1.054","","","","has coordinates,has disorder","302709","2025-10-06","10:04:32",""
"1574913","12.0794","0.0002","12.6498","0.0002","19.7666","0.0004","96.679","0.002","92.826","0.002","116.357","0.002","2670.68","0.1","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H46 Ag2 Cl4 N5 O6 P3 -","- C53 H46 Ag2 Cl4 N5 O6 P3 -","- C106 H92 Ag4 Cl8 N10 O12 P6 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0366","0.0294","","","0.0672","0.07","","","","","","1.051","","","","has coordinates","302709","2025-10-06","10:04:32",""
"1574952","15.4946","0.0005","24.9495","0.0006","18.6668","0.0007","90","","113.048","0.004","90","","6640.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H65 Cd3 N10 O17 -","- C60 H65 Cd3 N10 O17 -","- C240 H260 Cd12 N40 O68 -","4","1","","Pei, Li; Zhang, Jieming; Ding, Wenqin; Wang, Jian; Huang, Fangmin; Liu, Yanhong; Liu, Ziran; Gao, Yafei; Wu, Pengyan","Recyclable luminescent metal-organic frameworks with self-formed diketone-like sites for cascade ratiometric detection.","Nanoscale","2025","17","29","17324","17333","10.1039/d5nr01962a","","","0.71073","MoKα","","0.0554","0.0358","","","0.0902","0.092","","","","","","1.082","","","","has coordinates","301612","2025-08-05","22:15:57",""
"1575047","4.6973","0.0008","11.16","0.002","11.554","0.002","67.35","0.005","82.509","0.004","87.05","0.005","554.2","0.17","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H20 N4 O4 S2 -","- C25 H20 N4 O4 S2 -","- C25 H20 N4 O4 S2 -","1","1","","Lai, Hui-Juan; Wang, Xu; Wang, Yuan; Wu, Wei-Na; Xu, Zhi-Hong","A Golgi-targeting fluorescent probe for the detection of hydrazine in biological and environmental systems.","Analytical methods : advancing methods and applications","2025","17","31","6317","6325","10.1039/d5ay00690b","","","0.71073","MoKα","","0.0636","0.0434","","","0.0985","0.1108","","","","","","1.062","","","","has coordinates","302390","2025-10-06","06:30:51",""
"1575051","11.359","0.005","9.285","0.004","9.048","0.004","90","","101.453","0.012","90","","935.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N6 O6 S2 -","- C12 H18 N6 O6 S2 -","- C24 H36 N12 O12 S4 -","2","0.5","","Spencer, Rochelle B.; Yusov, Anna; Dillon, Alexandra M.; Tiwari, Akash; Arteaga, Oriol; Sburlati, Sophia; Whittaker, St John; Wu, Wantong; Chen, Sixian; Shtukenberg, Alexander G.; Ward, Michael D.; Kahr, Bart; Lee, Stephanie S.","Guest removal from ring-banded guanidinium organosulfonate hydrogen-bonded frameworks.","Nanoscale","2025","17","22","13727","13736","10.1039/d5nr00467e","","x-ray","0.71073","MoKα","","0.1106","0.0953","","","0.2229","0.23","","","","","","1.386","","","","has coordinates","300371","2025-07-05","18:06:25",""
"1575052","13.771","0.0002","17.3783","0.0002","5.0214","0.0001","90","","90","","90","","1201.7","0.03","298","","298","","","","","","","","","6","C m c 21","C 2c -2","36","Borosilicate_TON_50","","","- C0.11 H0.27 B0.05 N0.05 O6.05 Si2.96 -","- C0.1125 H0.27 B0.045 N0.045 O6 Si2.955 -","- C0.9 H2.16 B0.36 N0.36 O48 Si23.64 -","8","1","","Liu, Li; Xie, Haodong; Ni, Xiang; Yang, Xue; Liu, Yan; Ma, Yufang; Yuan, Feixiang; Tao, Shuo; Wang, Lei; Zhu, Hongjun","Defective plane induced fractal TON zeolites for efficient hydroisomerization of long-chain hydrocarbons.","Nanoscale","2025","17","17","11049","11059","10.1039/d5nr00443h","powder diffraction","x-ray","1.5406","CuKalpha1","","","","","","","","","0.04297","2.264","","","","","","","has coordinates","300372","2025-07-05","18:06:52",""
"1575067","21.8986","0.0004","22.3981","0.0004","43.4906","0.0008","104.597","0.002","98.324","0.002","94.218","0.002","20290.3","0.7","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C401 H398.2 B10.45 Br6.8 Cl0.15 F41.8 N72 Ni8 O40 -","- C370 H273.2 B10.35 Br6.8 Cl0.15 F41.4 N72 Ni8 O8.5 -","- C740 H546.4 B20.7 Br13.6 Cl0.3 F82.8 N144 Ni16 O17 -","2","1","","Williams, James R.; Ward, Michael D.","An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages.","Nanoscale","2025","17","29","17285","17293","10.1039/d5nr02293b","","x-ray","1.54184","CuKα","","0.1691","0.0885","","","0.2214","0.2636","","","","","","1.004","","","","has coordinates,has disorder","301611","2025-08-05","22:15:42",""
"1575068","12.6814","0.0004","12.1894","0.0004","20.2334","0.0008","90","","104.141","0.004","90","","3032.88","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tris(2-(1-methyl-1H-pyrazol-3-yl)pyridine)cobalt-di(tetrafluoroborate)","","- C27 H27 B2 Co F8 N9 -","- C27 H27 B2 Co F8 N9 -","- C108 H108 B8 Co4 F32 N36 -","4","1","","Williams, James R.; Ward, Michael D.","An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages.","Nanoscale","2025","17","29","17285","17293","10.1039/d5nr02293b","","x-ray","1.54184","CuKα","","0.1073","0.0813","","","0.2266","0.2477","","","","","","1.04","","","","has coordinates,has disorder","301611","2025-08-05","22:15:43",""
"1575069","32.9811","0.0002","30.0048","0.0002","39.7967","0.0003","90","","96.454","0.001","90","","39132.9","0.5","100","0.1","100.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C372.2 H412.8 B12.75 Cl1.55 F51 Fe8 N72 O38.2 -","- C349.2 H320.8 B12.15 Cl1.55 F48.6 Fe8 N72 O15.2 -","- C1396.8 H1283.2 B48.6 Cl6.2 F194.4 Fe32 N288 O60.8 -","4","0.5","","Williams, James R.; Ward, Michael D.","An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages.","Nanoscale","2025","17","29","17285","17293","10.1039/d5nr02293b","","","1.54184","CuKα","","0.0863","0.0698","","","0.1965","0.2089","","","","","","1.029","","","","has coordinates,has disorder","301611","2025-08-05","22:15:43",""
"1575070","21.4417","0.0002","22.1353","0.0002","24.3064","0.0003","78.562","0.001","72.319","0.001","88.964","0.001","10762.1","0.2","100","0.1","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C406.5 H427.5 B10.82 F43.28 N75 Ni8 O40.5 S3 -","- C376.5 H307.5 B7.82 F31.28 N75 Ni8 O10.5 S3 -","- C376.5 H307.5 B7.82 F31.28 N75 Ni8 O10.5 S3 -","1","0.5","","Williams, James R.; Ward, Michael D.","An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages.","Nanoscale","2025","17","29","17285","17293","10.1039/d5nr02293b","","","1.54184","CuKα","","0.1268","0.0949","","","0.298","0.3252","","","","","","1.163","","","","has coordinates,has disorder","301611","2025-08-05","22:15:43",""
"1575223","9.988","0.0008","10.1205","0.0007","13.3556","0.0007","83.945","0.005","83.632","0.005","69.237","0.007","1251.38","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","MnS","","- C24 H16 Mn N4 S6 -","- C24 H16 Mn N4 S6 -","- C48 H32 Mn2 N8 S12 -","2","1","","Wang, Yanqi; Zhai, Longfei; Xiong, Wei-Wei","Preparing an MnS@CN composite with lasagna-like nanostructure through pyrolysis of an organic hybrid manganese sulfide for electrochemical lithium storage.","Nanoscale","2025","17","31","18315","18324","10.1039/d5nr01936b","","","0.71073","MoKα","","0.1486","0.0874","","","0.2001","0.2468","","","","","","1.031","","","","has coordinates","302707","2025-10-06","10:03:16",""
"1575231","7.8266","0.0001","15.0675","0.0003","24.1674","0.0004","90","","97.197","0.002","90","","2827.54","0.08","200","0.3","200","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 N2 O8 -","- C38 H28 N2 O8 -","- C152 H112 N8 O32 -","4","1","","Martínez-Visiedo, Joel; Ibáñez, Susana; Dawe, Louise N.; Peris, Eduardo","A metallosupramolecular-based ring-in-ring complex showing reversible host-guest dynamics and switchable electrochemical properties.","Nanoscale","2025","17","35","20089","20095","10.1039/d5nr02758f","","x-ray","1.54184","CuKα","","0.0478","0.0412","","","0.116","0.1227","","","","","","1.047","","","","has coordinates","302708","2025-10-06","10:03:49",""
"1575232","34.3083","0.0013","25.6152","0.0004","41.4962","0.0018","90","","117.491","0.005","90","","32350","2","200.15","","200.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C198 H216 Ir4 N22 O8 -","- C198 H216 Ir4 N22 O8 -","- C792 H864 Ir16 N88 O32 -","4","0.5","","Martínez-Visiedo, Joel; Ibáñez, Susana; Dawe, Louise N.; Peris, Eduardo","A metallosupramolecular-based ring-in-ring complex showing reversible host-guest dynamics and switchable electrochemical properties.","Nanoscale","2025","17","35","20089","20095","10.1039/d5nr02758f","","x-ray","1.54184","CuKα","","0.1395","0.108","","","0.3056","0.3566","","","","","","1.154","","","","has coordinates,has disorder","302708","2025-10-06","10:03:49",""
"1575314","18.0287","0.0011","8.6686","0.0005","19.3834","0.0012","90","","115.664","0.002","90","","2730.5","0.3","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","C22 H24 Cl F6 N3 O4 P Pd0.50 S2","'C22 H24 Cl F6 N3 O4 P Pd0.50 S2'","","- C22 H24 Cl F6 N3 O4 P Pd0.5 S2 -","- C22 H24 Cl F6 N3 O4 P Pd0.5 S2 -","- C88 H96 Cl4 F24 N12 O16 P4 Pd2 S8 -","4","1","","Qadir, Muhammad I.; Chacón-Rosales, Gustavo; Ebersol, Camila P.; Abarca, Gabriel; Matias, Pedro H. F.; de Oliveira, Heibbe Cristhian B.; Pontes, Renato B.; Stieler, Rafael; Dupont, Jairton","Surface palladium nanoparticles in ionic liquids modified with phosphorus ligands for enhanced catalytic semi-hydrogenation.","Nanoscale","2025","17","28","16705","16712","10.1039/d5nr00789e","","x-ray","0.71073","MoKα","","0.0279","0.0232","","","0.055","0.0574","","","","","","1.065","","","","has coordinates","301465","2025-08-05","01:30:59",""
"1575341","10.21433","0.00015","11.54718","0.00019","16.0905","0.0003","85.3418","0.0013","78.3142","0.0013","77.3648","0.0013","1812.12","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H33 Co N3 O7 -","- C42 H33 Co N3 O7 -","- C84 H66 Co2 N6 O14 -","2","1","","Praharaj, Amrutanshu; Kempasiddaiah, Manjunatha; Manna, Biplab Kumar; Samanta, Rajib; Trivedi, Ravi Kumar; Khairwal, Tushar; Barman, Sudip","Two-dimensional [Co(btbH)<sub>2</sub>(dpe)<sub>2</sub>]·DMF metal-organic framework-derived low-cost nanocomposites for electrochemical nitrate reduction for ammonia production.","Nanoscale","2025","17","33","19302","19316","10.1039/d5nr02589c","","x-ray","1.54184","CuKα","","0.0542","0.0459","","","0.1225","0.1251","","","","","","1.072","","","","has coordinates,has disorder","302706","2025-10-06","10:02:52",""
"1575578","16.7989","0.0012","23.745","0.003","35.279","0.012","90","","94.926","0.018","90","","14020","5","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C162 H258 Ag48 As2 N12 O90 W18 -","- C162 H258 Ag48 As2 N12 O90 W18 -","- C324 H516 Ag96 As4 N24 O180 W36 -","2","0.5","","Liu, Qingqing; Feng, Yeqin; Liu, Tianfu; Zhao, Mengyun; Li, Yurui; Lv, Hongjin; Yang, Guo-Yu","Controllable syntheses of two structurally new {AsW<sub>9</sub>O<sub>33</sub>}-mediated silver alkynyl clusters.","Nanoscale","2025","17","37","21475","21480","10.1039/d5nr03313f","","x-ray","0.71073","MoKα","","0.1087","0.0651","","","0.1696","0.1995","","","","","","1.042","","","","has coordinates,has disorder","302705","2025-10-06","10:02:31",""
"1575579","20.0339","0.0004","21.6526","0.0004","22.7879","0.0004","86.406","0.002","78.202","0.002","65.476","0.002","8800.6","0.3","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C192 H288 Ag56 As2 Cl2 N4 O78 W18 -","- C192 H288 Ag56 As2 Cl2 N4 O78 W18 -","- C192 H288 Ag56 As2 Cl2 N4 O78 W18 -","1","0.5","","Liu, Qingqing; Feng, Yeqin; Liu, Tianfu; Zhao, Mengyun; Li, Yurui; Lv, Hongjin; Yang, Guo-Yu","Controllable syntheses of two structurally new {AsW<sub>9</sub>O<sub>33</sub>}-mediated silver alkynyl clusters.","Nanoscale","2025","17","37","21475","21480","10.1039/d5nr03313f","","x-ray","0.71073","MoKα","","0.1352","0.0816","","","0.2158","0.264","","","","","","1.036","","","","has coordinates","302705","2025-10-06","10:02:33",""
"1575638","13.557","0.005","11.79","0.004","13.592","0.005","90","","110.637","0.01","90","","2033.1","1.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 N4 O2 -","- C21 H28 N4 O2 -","- C84 H112 N16 O8 -","4","1","","Gajendhiran, Ramalingam; Raees Ahmed, Abbas Khaja; Mithra, Sivaraj; Majeed, Seepoo Abdul; Sahul Hameed, Azeez Sait; Jegadeeshwari, Saravanan; Muthu, Kesavan; NizamMohideen, MohamedHanifa; Rahiman, Aziz Kalilur","Dual-responsive colorimetric and 'turn on' fluorometric probes for the rapid detection of Cu<sup>2+</sup> and F<sup>-</sup> ions: crystal structure, spectral elucidation, smartphone-based colorimetric readout, and applications in the bio-imaging of zebrafish larvae.","Analytical methods : advancing methods and applications","2025","17","39","7920","7935","10.1039/d5ay01091h","","","0.71073","MoKα","","0.1349","0.0843","","","0.1981","0.2269","","","","","","1.033","","","","has coordinates","303498","2025-11-29","17:05:35",""
"1575913","10.0004","0.0006","11.1515","0.0004","13.0098","0.0007","90","","102.287","0.004","90","","1417.61","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","1","","Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.","Nanoscale","2025","17","41","24226","24240","10.1039/d5nr01695a","","x-ray","0.71073","MoKα","","0.0617","0.0434","","","0.1049","0.1201","","","","","","1.069","","","","has coordinates","303846","2025-11-29","21:30:41",""
"1575914","9.5662","0.0006","9.8044","0.0007","10.6648","0.0007","105.084","0.005","93.119","0.005","118.45","0.005","830.2","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 S -","- C20 H18 N2 S -","- C40 H36 N4 S2 -","2","1","","Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.","Nanoscale","2025","17","41","24226","24240","10.1039/d5nr01695a","","x-ray","0.71073","MoKα","","0.0587","0.0395","","","0.09","0.1072","","","","","","1.059","","","","has coordinates","303846","2025-11-29","21:30:41",""
"1575915","25.139","0.0005","23.7263","0.0003","12.3581","0.0002","90","","89.839","0.002","90","","7371","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78.5 H70 Mo2 N12 O -","- C78.5 H70 Mo2 N12 O -","- C314 H280 Mo8 N48 O4 -","4","1","","Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.","Nanoscale","2025","17","41","24226","24240","10.1039/d5nr01695a","","x-ray","0.71073","MoKα","","0.0493","0.0364","","","0.0912","0.0973","","","","","","1.033","","","","has coordinates,has disorder","303846","2025-11-29","21:30:41",""
"1575916","14.9626","0.0004","14.9626","0.0004","17.4634","0.0006","90","","90","","90","","3909.7","0.2","100","","100","","","","","","","","","6","I 4","I 4","79","","","","- C82.5 H73 Cl5 N8 Rh2 S4 -","- C82.5 H73 Cl5 N8 Rh2 S4 -","- C165 H146 Cl10 N16 Rh4 S8 -","2","0.25","","Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.","Nanoscale","2025","17","41","24226","24240","10.1039/d5nr01695a","","x-ray","0.71073","MoKα","","0.0544","0.0486","","","0.1235","0.137","","","","","","1.087","","","","has coordinates,has disorder","303846","2025-11-29","21:30:41",""
"1575917","14.97951","0.00006","17.60118","0.00008","15.10734","0.00007","90","","90.2255","0.0004","90","","3983.13","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H72 Cl4 Mo2 N8 S4 -","- C82 H72 Cl4 Mo2 N8 S4 -","- C164 H144 Cl8 Mo4 N16 S8 -","2","1","","Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.","Nanoscale","2025","17","41","24226","24240","10.1039/d5nr01695a","","x-ray","1.54184","CuKα","","0.026","0.0249","","","0.0621","0.0627","","","","","","1.032","","","","has coordinates,has disorder","303846","2025-11-29","21:30:41",""
"1575918","5.3586","0.0002","33.0345","0.0012","10.7307","0.0009","90","","96.252","0.004","90","","1888.24","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N Ni O8 -","- C14 H15 N Ni O8 -","- C56 H60 N4 Ni4 O32 -","4","1","","Wang, Yuhao; Zhong, Jinping; Feng, Fada; Zeng, Yikui; Yan, Dengfeng; Li, Xudong","Stable Ni(II)-based metal-organic framework nanoparticles for efficient photocatalytic C-N coupling reaction.","Nanoscale","2025","17","44","25868","25876","10.1039/d5nr03175c","","x-ray","1.54184","CuKα","","0.1545","0.1361","","","0.3267","0.3371","","","","","","1.172","","","","has coordinates","303843","2025-11-29","21:29:44",""
"1575954","12.743","0.0004","12.7623","0.0005","16.6375","0.0006","79.654","0.003","74.705","0.003","64.242","0.004","2344.01","0.17","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C106 H96 Ag2 Cl5 N6 O2 P6 -","- C106 H96 Ag2 Cl5 N6 O2 P6 -","- C106 H96 Ag2 Cl5 N6 O2 P6 -","1","0.5","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.0641","0.05","","","0.1276","0.134","","","","","","1.054","","","","has coordinates,has disorder","302383","2025-10-05","07:36:40",""
"1575955","12.479","0.0008","12.5646","0.0006","17.5146","0.0008","81.271","0.004","88.818","0.005","62.631","0.006","2406.8","0.3","170.01","0.1","170.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50.66 H40.04 Ag2 N3 O6 P3 -","- C50.654 H40.045 Ag2 N3 O6 P3 -","- C101.308 H80.09 Ag4 N6 O12 P6 -","2","1","","Peter, Blessing D.; Yi, Qiuhao; Luo, Zhixun","Studying how small silver clusters grow and their optical properties.","Nanoscale","2025","17","34","19821","19827","10.1039/d5nr01269d","","x-ray","0.71073","MoKα","","0.2515","0.1931","","","0.5289","0.5558","","","","","","2.025","","","","has coordinates,has disorder","302384","2025-10-05","07:37:24",""
"1576021","10.6239","0.0004","15.4931","0.0006","28.1103","0.0012","90","","100.43","0.001","90","","4550.4","0.3","273.15","","273.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C2.64 H3.58 Ag0.63 Cl0.32 F0.95 N0.42 O0.84 S0.42 -","- C2.52632 H3.47368 Ag0.631579 F0.947368 N0.421053 O0.842105 S0.421053 -","- C96 H132 Ag24 F36 N16 O32 S16 -","38","9.5","","Irie, Tsukasa; Sasaki, Kohki; Nozaki, Mika; Kawawaki, Tokuhisa; Takahashi, Shuntaro; Das, Saikat; Negishi, Yuichi","Reticular construction of a two-dimensional Ag<sub>12</sub> cluster-assembled material for rapid and selective luminescent sensing of antibiotics in aqueous media.","Nanoscale","2025","17","44","25495","25504","10.1039/d5nr03351a","","","0.71073","MoKα","","0.0685","0.051","","","0.1298","0.1403","","","","","","1.047","","","","has coordinates","303844","2025-11-29","21:29:56",""
"1576045","8.9312","0.0005","10.4343","0.0007","12.5929","0.0007","73.098","0.005","70.992","0.005","65.822","0.006","995.24","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N S -","- C27 H19 N S -","- C54 H38 N2 S2 -","2","1","","Heena, ?; Naithani, Sudhanshu; Sangeeta, ?; Guchhait, Biswajit; Medda, Nandita; Roy, Partha; Goswami, Tapas; Kumar, Sushil","A dual-functional AIE luminogen for sensitive nitro explosive detection and efficient photolabeling.","Analytical methods : advancing methods and applications","2025","17","43","8745","8753","10.1039/d5ay01309g","","x-ray","0.71073","MoKα","","0.0674","0.0486","","","0.129","0.1411","","","","","","1.106","","","","has coordinates","303497","2025-11-29","17:05:13",""
"1576078","7.1489","0.0002","13.4533","0.0004","8.2583","0.0002","90","","108.226","0.001","90","","754.41","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H26 B6 Os -","- C10 H25.9998 B6 Os -","- C20 H51.9996 B12 Os2 -","2","1","","Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal","All-boron analogue of planar benzene on an osmium template.","Chemical science","2026","17","1","196","204","10.1039/d5sc06992k","","","0.71073","MoKα","","0.0221","0.0215","","","0.0506","0.0512","","","","","","1.072","","","","has coordinates,has disorder","304872","2026-03-05","12:21:31",""
"1576079","8.1325","0.0003","12.8806","0.0005","14.1056","0.0004","90","","90","","90","","1477.58","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 B4 Os -","- C10 H24 B4 Os -","- C40 H96 B16 Os4 -","4","1","","Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal","All-boron analogue of planar benzene on an osmium template.","Chemical science","2026","17","1","196","204","10.1039/d5sc06992k","","","0.71073","MoKα","","0.0147","0.0143","","","0.0354","0.0355","","","","","","1.152","","","","has coordinates","304872","2026-03-05","12:21:31",""
"1576080","13.9545","0.0005","8.2607","0.0003","13.1269","0.0005","90","","90","","90","","1513.19","0.1","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H27 B5 Os -","- C10 H15 B5 Os -","- C40 H60 B20 Os4 -","4","1","","Kar, Ketaki; Joshi, Gaurav; Jemmis, Eluvathingal D.; Ghosh, Sundargopal","All-boron analogue of planar benzene on an osmium template.","Chemical science","2026","17","1","196","204","10.1039/d5sc06992k","","","0.71073","MoKα","","0.0646","0.0453","","","0.126","0.142","","","","","","1.075","","","","has coordinates,has disorder","304872","2026-03-05","12:21:31",""
"1576090","17.5578","0.0008","7.2616","0.0003","18.2966","0.001","90","","116.173","0.002","90","","2093.59","0.18","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrachlorophthalonitrile triphenylene","","- C26 H12 Cl4 N2 -","- C26 H12 Cl4 N2 -","- C104 H48 Cl16 N8 -","4","1","","Zhang, Wanlong; Zhang, Yongcheng; Chen, Zhiyan; Qin, Wei","Abnormal homodirectional responses of magneto-phosphorescence and magneto-fluorescence in organic phosphorescent crystals under third-component doping.","Nanoscale","2025","17","45","26248","26256","10.1039/d5nr03566j","","","0.71073","MoKα","","0.1004","0.0739","","","0.2353","0.2778","","","","","","1.09","","","","has coordinates","303851","2025-11-29","21:33:03",""
"1576091","17.7668","0.0008","7.3556","0.0003","18.3821","0.0008","90","","116.268","0.002","90","","2154.2","0.17","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrachlorophthalonitrile triphenylene","","- C26 H12 Cl4 N2 -","- C26 H12 Cl4 N2 -","- C104 H48 Cl16 N8 -","4","1","","Zhang, Wanlong; Zhang, Yongcheng; Chen, Zhiyan; Qin, Wei","Abnormal homodirectional responses of magneto-phosphorescence and magneto-fluorescence in organic phosphorescent crystals under third-component doping.","Nanoscale","2025","17","45","26248","26256","10.1039/d5nr03566j","","","1.54178","CuKα","","0.0722","0.0664","","","0.2001","0.2075","","","","","","1.076","","","","has coordinates,has disorder","303851","2025-11-29","21:33:03",""
"1576092","16.3979","0.0003","23.0681","0.0005","31.533","0.0005","90","","92.99","0.002","90","","11911.7","0.4","200","0.1","200","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C205 H242 Cl3 Cu15 O35 -","- C205 H242 Cl3 Cu15 O35 -","- C410 H484 Cl6 Cu30 O70 -","2","1","","Yao, Jun-Fei; Zhao, Pei; Hu, Feng; Yang, Ya-Nan; Nan, Zi-Ang; Huang, Qiu-Qin; Li, Jing-Yu; Chen, Jian; Lei, Zhen; Wei, Qiao-Hua; Ehara, Masahiro; Wang, Quan-Ming","α-Hydroxyalkynyl-protected copper(I) acetelyenediide nanoclusters with anion-dependent photoluminescence.","Nanoscale","2025","17","43","25289","25296","10.1039/d5nr03301b","","x-ray","1.3405","GaKα","","0.1274","0.1088","","","0.2915","0.3082","","","","","","1.212","","","","has coordinates","303848","2025-11-29","21:31:59",""
"1576093","16.805","0.003","32.359","0.006","24.311","0.004","90","","108.69","0.004","90","","12523","4","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C222 H270 Cu17 F15 O30 -","- C222 H270 Cu17 F15 O30 -","- C444 H540 Cu34 F30 O60 -","2","1","","Yao, Jun-Fei; Zhao, Pei; Hu, Feng; Yang, Ya-Nan; Nan, Zi-Ang; Huang, Qiu-Qin; Li, Jing-Yu; Chen, Jian; Lei, Zhen; Wei, Qiao-Hua; Ehara, Masahiro; Wang, Quan-Ming","α-Hydroxyalkynyl-protected copper(I) acetelyenediide nanoclusters with anion-dependent photoluminescence.","Nanoscale","2025","17","43","25289","25296","10.1039/d5nr03301b","","","0.71073","MoKα","","0.1193","0.0947","","","0.2429","0.2587","","","","","","1.047","","","","has coordinates","303848","2025-11-29","21:31:59",""
"1576094","14.3281","0.0004","14.4893","0.0004","26.9716","0.0006","82.003","0.002","75.767","0.002","69.21","0.003","5065.8","0.3","153.15","","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- Al14.9 Cl0.4 H101.4 Mo11.4 O124.3 -","- Al14.9 Cl0.4 H37.4 Mo11.4 O92.3 -","- Al29.8 Cl0.8 H74.8 Mo22.8 O184.6 -","2","1","","Tateno, Atsunobu; Zhou, Wei; Gao, Ailing; Weng, Zhewei; Ogiwara, Naoki; Uchida, Sayaka","Isomeric effects of Al<sub>13</sub> Keggin clusters as catalyst support on oxidation reactions.","Nanoscale","2025","17","43","25010","25014","10.1039/d5nr03696h","","","0.71073","MoKα","","0.1014","0.0799","","","0.1957","0.2075","","","","","","1.048","","","","has coordinates,has disorder","303847","2025-11-29","21:31:34",""
"1576128","33.2347","0.0003","33.2347","0.0003","17.02607","0.00019","90","","90","","120","","16286.5","0.3","100","0.1","100","0.1","","","","","","","","5","R 3 :H","R 3","146","","","","- C207 H222 Cu20 P3 S19 -","- C207 H222 Cu19.9999 P3 S19 -","- C621 H666 Cu59.9997 P9 S57 -","3","0.333333","","Ge, Xin; Chen, Ruihang; Deng, Hongwen; Fang, Lei; Pan, Kunyi; Shan, Bochen; Gu, Bangde; Sun, Xin; Zheng, Yun; Teo, Boon K.; Sun, Cunfa","Surface defects in atom-precise copper nanoclusters and their different catalytic efficiencies.","Nanoscale","2025","17","44","25490","25494","10.1039/d5nr03643g","","x-ray","1.54184","CuKα","","0.1099","0.1022","","","0.2606","0.2646","","","","","","1.048","","","","has coordinates,has disorder","303845","2025-11-29","21:30:21",""
"1576134","13.4727","0.0004","13.4727","0.0004","15.2171","0.0004","90","","90","","120","","2392.06","0.12","100","0.1","100","0.1","","","","","","","","7","R -3 :H","-R 3","148","","CCD","","- C12 H36 Al Cl6 O6 S6 Sb -","- C12 H36 Al Cl6 O6 S6 Sb -","- C36 H108 Al3 Cl18 O18 S18 Sb3 -","3","0.166667","","Li, Hao; Wang, Zhaoyu; Wu, Junhong; Zhang, Tianyong; Long, Guankui; Jiang, Shuang","Ultrafast preparation of amine-free 0D metal halides with near-unity emission for X-ray scintillators.","Nanoscale","2025","17","47","27474","27481","10.1039/d5nr03995a","","x-ray","1.54184","CuKα","","0.1164","0.1119","","","0.2727","0.277","","","","","","1.287","","","","has coordinates","304114","2025-12-07","06:28:06",""
"1576135","5.9577","0.0013","5.9577","0.0013","5.9577","0.0013","90","","90","","90","","211.46","0.08","295","","295","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C Br3 N2 Pb0.84 Sn0.16 -","- C Br3 N2.0004 Pb0.84 Sn0.1599 -","- C Br3 N2.0004 Pb0.84 Sn0.1599 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","","0.56083","AgKα","","0.0267","0.0263","","","0.075","0.0751","","","","","","1.336","","","","has coordinates,has disorder","304869","2026-03-05","12:20:20",""
"1576136","5.959","0.002","5.959","0.002","5.959","0.002","90","","90","","90","","211.6","0.12","295","","295","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C Br3 N2 Pb0.21 Sn0.79 -","- C Br3 N2.0004 Pb0.21 Sn0.79 -","- C Br3 N2.0004 Pb0.21 Sn0.79 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","","0.56083","AgKα","","0.0479","0.0463","","","0.122","0.1255","","","","","","1.306","","","","has coordinates","304869","2026-03-05","12:20:20",""
"1576137","6.0213","0.0007","6.0213","0.0007","6.0213","0.0007","90","","90","","90","","218.31","0.04","296.52","0.1","296.52","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.232 H6.159 Br3 N2 Pb0.22 Sn0.664 -","- C0.7682 Br3 N1.521 Pb0.2204 Sn0.6637 -","- C0.7682 Br3 N1.521 Pb0.2204 Sn0.6637 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0633","0.0402","","","0.1058","0.1112","","","","1.91","1.91","1.58","","","","has coordinates","304869","2026-03-05","12:20:20",""
"1576138","6.0226","0.0007","6.0226","0.0007","6.0226","0.0007","90","","90","","90","","218.45","0.04","296.05","0.18","296.05","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C0.888 H0 Br3 N1.759 Sn0.944 -","- C0.8882 Br3 N1.7586 Sn0.9441 -","- C0.8882 Br3 N1.7586 Sn0.9441 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0881","0.0586","","","0.1835","0.1888","","","","3.59","3.59","2.65","","","","has coordinates","304869","2026-03-05","12:20:20",""
"1576139","6.0075","0.0007","6.0075","0.0007","6.0075","0.0007","90","","90","","90","","216.81","0.04","296.45","0.1","296.45","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.121 H5.602 Br3 N2 Pb0.418 Sn0.522 -","- C0.8795 Br3 N1.7412 Pb0.4175 Sn0.5222 -","- C0.8795 Br3 N1.7412 Pb0.4175 Sn0.5222 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0467","0.0327","","","0.0795","0.0834","","","","1.5","1.5","1.35","","","","has coordinates","304869","2026-03-05","12:20:20",""
"1576140","6.0315","0.001","6.0315","0.001","6.0315","0.001","90","","90","","90","","219.42","0.06","296.25","0.1","296.25","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.356 H6.78 Br3 N2 Pb0.422 Sn0.4 -","- C0.6442 Br3 N1.275 Pb0.4225 Sn0.3995 -","- C0.6442 Br3 N1.275 Pb0.4225 Sn0.3995 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0983","0.0481","","","0.1186","0.127","","","","2.14","2.14","1.58","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576141","5.9617","0.0018","5.9617","0.0018","5.9617","0.0018","90","","90","","90","","211.89","0.11","295","","295","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C Br3 N2 Pb0.5 Sn0.5 -","- C Br3 N2.0004 Pb0.5002 Sn0.5002 -","- C Br3 N2.0004 Pb0.5002 Sn0.5002 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","","0.56083","AgKα","","0.0303","0.0303","","","0.0829","0.0829","","","","","","1.219","","","","has coordinates,has disorder","304869","2026-03-05","12:20:21",""
"1576142","6.0133","0.0004","6.0133","0.0004","6.0133","0.0004","90","","90","","90","","217.44","0.03","295","0.11","295","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.245 H6.225 Br3 N2 Pb0.693 Sn0.185 -","- C0.755 Br3 N1.4952 Pb0.6927 Sn0.1848 -","- C0.755 Br3 N1.4952 Pb0.6927 Sn0.1848 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0464","0.0355","","","0.0919","0.0952","","","","1.67","1.67","1.54","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576143","6.0566","0.0006","6.0566","0.0006","6.0566","0.0006","90","","90","","90","","222.17","0.04","296.55","0.1","296.55","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.45 H7.254 Br3 N2 Pb0.607 Sn0.168 -","- C0.5491 Br3 N1.0896 Pb0.6067 Sn0.1677 -","- C0.5491 Br3 N1.0896 Pb0.6067 Sn0.1677 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0445","0.0426","","","0.1301","0.1307","","","","2.66","2.66","2.63","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576144","6.0203","0.0006","6.0203","0.0006","6.0203","0.0006","90","","90","","90","","218.2","0.04","296.28","0.1","296.28","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.11 H5.552 Br3 N2 Pb0.753 Sn0.187 -","- C0.8894 Br3 N1.7616 Pb0.753 Sn0.1868 -","- C0.8894 Br3 N1.7616 Pb0.753 Sn0.1868 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.036","0.0326","","","0.0762","0.0774","","","","1.41","1.41","1.37","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576145","6.0379","0.0007","6.0379","0.0007","6.0379","0.0007","90","","90","","90","","220.12","0.04","296.49","0.1","296.49","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.35 H6.75 Br3 N2 Pb0.648 Sn0.177 -","- C0.6504 Br3 N1.2876 Pb0.648 Sn0.1769 -","- C0.6504 Br3 N1.2876 Pb0.648 Sn0.1769 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0596","0.0413","","","0.1065","0.1103","","","","2","2","1.71","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576146","6.0324","0.0007","6.0324","0.0007","6.0324","0.0007","90","","90","","90","","219.52","0.04","296.47","0.1","296.47","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.198 H5.979 Br3 N2 Sn0.902 -","- C0.8064 Br3 N1.5936 Sn0.9024 -","- C0.8064 Br3 N1.5936 Sn0.9024 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.1002","0.0501","","","0.1495","0.1589","","","","2.89","2.89","2","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576147","6.0349","0.0014","6.0349","0.0014","6.0349","0.0014","90","","90","","90","","219.79","0.09","296.1","0.3","296.1","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.275 H6.378 Br3 N2 Sn0.862 -","- C0.7243 Br3 N1.434 Sn0.8621 -","- C0.7243 Br3 N1.434 Sn0.8621 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.048","0.0481","","","0.1411","0.1411","","","","2.87","2.87","2.85","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576148","6.0371","0.001","6.0371","0.001","6.0371","0.001","90","","90","","90","","220.03","0.06","296.32","0.1","296.32","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.332 H6.65 Br3 N2 Sn0.835 -","- C0.672 Br3 N1.3248 Sn0.8352 -","- C0.672 Br3 N1.3248 Sn0.8352 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.06","0.0576","","","0.154","0.1549","","","","3.13","3.13","2.97","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576149","6.0413","0.0003","6.0413","0.0003","6.0413","0.0003","90","","90","","90","","220.491","0.019","296.52","0.12","296.52","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.38 H6.53 Br3 N2 Pb0.422 Sn0.425 -","- C0.768 Br3 N1.5312 Pb0.4218 Sn0.4252 -","- C0.768 Br3 N1.5312 Pb0.4218 Sn0.4252 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0589","0.0418","","","0.0992","0.103","","","","1.88","1.88","1.61","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576150","5.997","0.0008","5.997","0.0008","5.997","0.0008","90","","90","","90","","215.68","0.05","296.4","0.1","296.4","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.093 H5.5 Br3 N2 Pb0.237 Sn0.716 -","- C0.9072 Br3 N1.7952 Pb0.2369 Sn0.7164 -","- C0.9072 Br3 N1.7952 Pb0.2369 Sn0.7164 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0508","0.0508","","","0.1241","0.1241","","","","2.37","2.37","2.37","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576151","6.0644","0.0007","6.0644","0.0007","6.0644","0.0007","90","","90","","90","","223.03","0.04","296.47","0.1","296.47","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.341 H6.684 Br3 N2 Pb0.22 Sn0.611 -","- C0.6667 Br3 N1.32 Pb0.2202 Sn0.6114 -","- C0.6667 Br3 N1.32 Pb0.2202 Sn0.6114 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0685","0.0679","","","0.1628","0.1629","","","","3.15","3.15","3.12","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576152","6.0411","0.0005","6.0411","0.0005","6.0411","0.0005","90","","90","","90","","220.47","0.03","296.51","0.1","296.51","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.275 H6.378 Br3 N2 Pb0.225 Sn0.638 -","- C0.7245 Br3 N1.4346 Pb0.2246 Sn0.6376 -","- C0.7245 Br3 N1.4346 Pb0.2246 Sn0.6376 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.0771","0.045","","","0.1099","0.1187","","","","2","2","1.64","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576153","6.0236","0.0007","6.0236","0.0007","6.0236","0.0007","90","","90","","90","","218.56","0.04","296.52","0.1","296.52","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.226 H5.966 Br3 N2 Pb0.429 Sn0.474 -","- C0.84 Br3 N1.776 Pb0.4292 Sn0.4742 -","- C0.84 Br3 N1.776 Pb0.4292 Sn0.4742 -","1","0.0208333","","Balvanz, Adam; Pournara, Anastasia; Reynolds, Robert P.; Meza, Patricia E.; Malliakas, Christos D.; Fletcher, Jared D.; Seshadri, Ram; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Tuning optical properties and local lone-pair off-centering in ""hollow"" FA<sub>1-<i>x</i></sub> {<i>en</i>} <sub><i>x</i></sub> Pb <sub><i>η</i>-<i>y</i></sub> Sn <sub><i>y</i></sub> Br<sub>3</sub> perovskites.","Chemical science","2026","17","1","526","543","10.1039/d5sc01841b","","x-ray","0.71073","MoKα","","0.056","0.0353","","","0.095","0.1","","","","1.71","1.71","1.47","","","","has coordinates","304869","2026-03-05","12:20:21",""
"1576154","48.656","0.001","15.8779","0.0003","48.7057","0.0009","90","","93.165","0.002","90","","37570.4","1.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[PCP{N(Dipp)CH2}2]3*2hex","","- C93 H142 N6 P6 -","- C81 H114 N6 P6 -","- C1296 H1824 N96 P96 -","16","2","","Meier, David C.; García-Romero, Álvaro; González-Pinardo, Daniel; Rees, Nicholas H.; Lovstedt, Alex; Fernández, Israel; Goicoechea, Jose M.","Exceptionally large ""through-space"" nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene.","Chemical science","2026","17","1","544","554","10.1039/d5sc07729j","","","1.54178","CuKα","","0.0805","0.0553","","","0.1314","0.1464","","","","","","1.02","","","","has coordinates","304870","2026-03-05","12:20:50",""
"1576155","13.5678","0.0006","13.7534","0.0007","15.5834","0.0007","79.661","0.002","86.029","0.002","65.26","0.002","2598.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","[PCP{N(Dipp)CH2}2]2","","- C54 H76 N4 P4 -","- C54 H76 N4 P4 -","- C108 H152 N8 P8 -","2","1","","Meier, David C.; García-Romero, Álvaro; González-Pinardo, Daniel; Rees, Nicholas H.; Lovstedt, Alex; Fernández, Israel; Goicoechea, Jose M.","Exceptionally large ""through-space"" nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene.","Chemical science","2026","17","1","544","554","10.1039/d5sc07729j","","","0.71073","MoKα","","0.0597","0.0518","","","0.126","0.1364","","","","","","1.104","","","","has coordinates","304870","2026-03-05","12:20:50",""
"1576156","12.8201","0.0005","21.8399","0.0008","30.291","0.001","90","","92.626","0.002","90","","8472.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[PCP{N(Dipp)CH2}2]3*hex","","- C87 H128 N6 P6 -","- C87 H128 N6 P6 -","- C348 H512 N24 P24 -","4","1","","Meier, David C.; García-Romero, Álvaro; González-Pinardo, Daniel; Rees, Nicholas H.; Lovstedt, Alex; Fernández, Israel; Goicoechea, Jose M.","Exceptionally large ""through-space"" nuclear spin coupling in a 2,4,6-tri(phosphanyl)-1,3,5-triphosphabenzene.","Chemical science","2026","17","1","544","554","10.1039/d5sc07729j","","","1.54178","CuKα","","0.0893","0.0763","","","0.2004","0.2102","","","","","","1.094","","","","has coordinates,has disorder","304870","2026-03-05","12:20:50",""
"1576157","16.5538","0.0014","8.328","0.0006","36.149","0.003","90","","90","","90","","4983.5","0.7","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H27 Cl3 Ir N3 O -","- C24 H27 Cl3 Ir N3 O -","- C192 H216 Cl24 Ir8 N24 O8 -","8","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","0.71073","MoKα","","0.0628","0.0467","","","0.1096","0.1162","","","","","","1.091","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576158","8.5814","0.0008","11.8073","0.0012","21.467","0.002","90","","90","","90","","2175.1","0.4","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","OIPCoCl2","","","- C21 H25 Cl2 Co N3 O -","- C21 H25 Cl2 Co N3 O -","- C84 H100 Cl8 Co4 N12 O4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.062","0.0424","","","0.0886","0.0953","","","","","","0.977","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576159","10.7384","0.0005","12.7561","0.0005","18.1854","0.0008","90","","90","","90","","2491.04","0.19","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl Co N3 S -","- C25 H33 Cl Co N3 S -","- C100 H132 Cl4 Co4 N12 S4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0315","0.0282","","","0.0615","0.0623","","","","","","0.999","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576160","15.7078","0.0008","9.7905","0.0005","18.7603","0.001","90","","114.343","0.003","90","","2628.6","0.2","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl2 Co N3 S -","- C25 H33 Cl2 Co N3 S -","- C100 H132 Cl8 Co4 N12 S4 -","4","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0973","0.0619","","","0.1575","0.1747","","","","","","1.078","","","","has coordinates,has disorder","304876","2026-03-05","12:23:20",""
"1576161","14.2795","0.0009","10.5999","0.0007","21.1288","0.0013","90","","93.703","0.003","90","","3191.4","0.4","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H36 Cl5 Co N3 O -","- C30 H36 Cl5 Co N3 O -","- C120 H144 Cl20 Co4 N12 O4 -","4","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0736","0.0562","","","0.1502","0.1592","","","","","","1.073","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576162","11.1019","0.0007","8.0219","0.0005","12.0462","0.0008","90","","103.955","0.002","90","","1041.15","0.12","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 Co N3 O -","- C22 H28 Co N3 O -","- C44 H56 Co2 N6 O2 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0562","0.0481","","","0.1052","0.1082","","","","","","1.058","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576163","10.8009","0.0008","11.5483","0.0009","47.229","0.004","90","","90","","90","","5891","0.8","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 Co N4 -","- C32 H41 Co N4 -","- C256 H328 Co8 N32 -","8","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0745","0.0476","","","0.1102","0.1209","","","","","","0.969","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576164","9.2773","0.0003","14.4865","0.0005","20.6304","0.0007","90","","90","","90","","2772.64","0.16","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 Co N3 O -","- C30 H38 Co N3 O -","- C120 H152 Co4 N12 O4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0374","0.0345","","","0.0874","0.0888","","","","","","1.054","","","","has coordinates,has disorder","304876","2026-03-05","12:23:20",""
"1576165","12.19","0.0009","12.9109","0.001","16.9559","0.0012","95.359","0.004","91.044","0.003","92.146","0.003","2654.4","0.3","170","","170","","","","","","","","","6","P 1","P 1","1","","","","- C29 H35 Cl Co N3 O -","- C29 H35 Cl Co N3 O -","- C116 H140 Cl4 Co4 N12 O4 -","4","4","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0396","0.0354","","","0.089","0.0912","","","","","","1.079","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576166","15.7505","0.0011","18.8119","0.0013","20.1927","0.0015","90","","90","","90","","5983","0.7","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Cl2 Co N4 -","- C31 H38 Cl2 Co N4 -","- C248 H304 Cl16 Co8 N32 -","8","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.1057","0.0652","","","0.159","0.1834","","","","","","1.035","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576167","8.0536","0.0002","5.2646","0.0001","16.5289","0.0003","90","","94.986","0.002","90","","698.16","0.03","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C30 H30 N2 O6 S2 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","x-ray","0.71073","MoKα","","0.0377","0.0367","","","0.0924","0.0935","","","","","","1.036","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576168","13.5345","0.0007","10.737","0.0005","17.4919","0.0009","90","","100.729","0.002","90","","2497.5","0.2","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H70 Cl4 Co2 N6 O4 -","- C38 H54 Cl4 Co2 N6 O2 -","- C76 H108 Cl8 Co4 N12 O4 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34138","GaKα","","0.0487","0.0363","","","0.0911","0.0958","","","","","","1.079","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576169","17.3643","0.0002","21.3942","0.0002","15.459","0.0002","90","","93.77","0.001","90","","5730.52","0.11","100","0.1","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 Cl3 F6 Fe2 N2 O14 S2 Si4 -","- C39 H57 Cl3 F6 Fe2 N2 O14 S2 Si4 -","- C156 H228 Cl12 F24 Fe8 N8 O56 S8 Si16 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","x-ray","1.54184","CuKα","","0.0519","0.0443","","","0.1179","0.123","","","","","","1.047","","","","has coordinates,has disorder","304876","2026-03-05","12:23:20",""
"1576170","9.3878","0.0004","11.3926","0.0005","12.0509","0.0005","90","","102.847","0.002","90","","1256.6","0.09","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 Co N3 O -","- C26 H36 Co N3 O -","- C52 H72 Co2 N6 O2 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0468","0.0437","","","0.0857","0.0868","","","","","","1.007","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576171","24.2715","0.001","6.0591","0.0003","13.7733","0.0006","90","","108.095","0.002","90","","1925.37","0.15","170","","170","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H30 Co N3 O -","- C20 H30 Co N3 O -","- C80 H120 Co4 N12 O4 -","4","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.0331","0.0313","","","0.0706","0.0712","","","","","","1.033","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576172","10.3786","0.0004","12.1026","0.0004","12.7904","0.0005","90","","106.534","0.001","90","","1540.15","0.1","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H40 Cl Co N4 -","- C35 H40 Cl Co N4 -","- C70 H80 Cl2 Co2 N8 -","2","1","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","x-ray","1.34139","GaKα","","0.0301","0.0268","","","0.0617","0.0625","","","","","","1.001","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576173","16.9108","0.0016","9.8083","0.0008","15.5403","0.0014","90","","97.61","0.004","90","","2554.9","0.4","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H33 Cl2 Co N3 O -","- C25 H33 Cl2 Co N3 O -","- C100 H132 Cl8 Co4 N12 O4 -","4","2","","Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan","The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.","Chemical science","2026","17","1","492","499","10.1039/d5sc06683b","","","1.34139","GaKα","","0.1351","0.0756","","","0.1492","0.173","","","","","","1.034","","","","has coordinates","304876","2026-03-05","12:23:20",""
"1576185","11.4849","0.001","14.1923","0.001","16.0109","0.0011","66.987","0.002","69.582","0.002","75.458","0.002","2231.1","0.3","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C111 H112 B2 N4 P2 S2 -","- C111 H112 B2 N4 P2 S2 -","- C111 H112 B2 N4 P2 S2 -","1","0.5","","Hong, Xian-Fang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan","Phenphosphine-X(O, S, Se) locking multi-resonance thermally activated delayed fluorescence materials.","Chemical science","2026","17","1","274","282","10.1039/d5sc06565h","","","1.34139","GaKα","","0.0993","0.0657","","","0.1672","0.1925","","","","","","1.05","","","","has coordinates,has disorder","304878","2026-03-05","12:23:54",""
"1576186","10.7415","0.0019","13.639","0.003","16.481","0.003","92.727","0.005","97.742","0.005","99.273","0.005","2355.3","0.8","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 B N2 O P -","- C52 H52 B N2 O P -","- C104 H104 B2 N4 O2 P2 -","2","1","","Hong, Xian-Fang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan","Phenphosphine-X(O, S, Se) locking multi-resonance thermally activated delayed fluorescence materials.","Chemical science","2026","17","1","274","282","10.1039/d5sc06565h","","","0.71073","MoKα","","0.1995","0.1191","","","0.2822","0.3333","","","","","","1.035","","","","has coordinates,has disorder","304878","2026-03-05","12:23:54",""
"1576187","11.912","0.003","19.904","0.004","21.598","0.004","105.673","0.006","93.452","0.007","106.204","0.007","4683.4","1.8","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C212 H216 B4 Cl8 N8 P4 Se4 -","- C208 H208 B4 N8 P4 Se4 -","- C208 H208 B4 N8 P4 Se4 -","1","0.5","","Hong, Xian-Fang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan","Phenphosphine-X(O, S, Se) locking multi-resonance thermally activated delayed fluorescence materials.","Chemical science","2026","17","1","274","282","10.1039/d5sc06565h","","","0.71073","MoKα","","0.1784","0.1039","","","0.2653","0.3255","","","","","","1.031","","","","has coordinates","304878","2026-03-05","12:23:54",""
"1576192","14.0473","0.0006","15.0466","0.0006","19.4211","0.0008","90","","90","","90","","4104.9","0.3","190","","190","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H34 N4 O8 P2 -","- C50 H34 N4 O8 P2 -","- C200 H136 N16 O32 P8 -","4","1","","Liu, Wenqi; Ling, Zhijie; Liu, Yang-Zi; Deng, Wei-Ping","Catalytic asymmetric construction of remote P or other heteroatom (Si/S) stereogenic axially chiral scaffolds.","Chemical science","2026","17","1","240","246","10.1039/d5sc08143b","","","1.54178","CuKα","","0.0741","0.0575","","","0.133","0.148","","","","","","1.029","","","","has coordinates","304868","2026-03-05","12:19:15",""
"1576193","16.097","0.006","8.807","0.002","25.224","0.007","90","","109.127","0.01","90","","3378.5","1.8","190","","190","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H30 Cl N2 O2 P2 -","- C39 H30 Cl N2 O2 P2 -","- C156 H120 Cl4 N8 O8 P8 -","4","1","","Liu, Wenqi; Ling, Zhijie; Liu, Yang-Zi; Deng, Wei-Ping","Catalytic asymmetric construction of remote P or other heteroatom (Si/S) stereogenic axially chiral scaffolds.","Chemical science","2026","17","1","240","246","10.1039/d5sc08143b","","","0.71073","MoKα","","0.0488","0.0433","","","0.1057","0.1102","","","","","","1.04","","","","has coordinates","304868","2026-03-05","12:19:15",""
"1576195","11.205","0.002","8.3911","0.0018","37.457","0.008","90","","90","","90","","3521.8","1.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H13 Br N2 O3 Se -","- C19 H13 Br N2 O3 Se -","- C152 H104 Br8 N16 O24 Se8 -","8","1","","Zhou, Wei; Wang, Yan; Zhang, Shuning; Zhang, Chengwei; Pang, Jiacheng; Hou, Shaoneng; Li, Jie; Yao, Ying; Su, An; Ma, Peixiang; Xu, Hongtao; Hou, Wei","Highly selective and AI-predictable Se-N exchange chemistry between benzoselenazolones and boronic acids for programmable, parallel, and DNA-encoded library synthesis.","Chemical science","2026","17","1","225","239","10.1039/d5sc05512a","","","1.34139","GaKα","","0.0703","0.0691","","","0.1885","0.189","","","","","","1.308","","","","has coordinates","304877","2026-03-05","12:23:34",""
"1576196","7.3114","0.0003","10.4814","0.0005","16.3409","0.0007","105.447","0.002","92.784","0.002","97.477","0.002","1192.22","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N3 O4 Pd -","- C28 H25 N3 O4 Pd -","- C56 H50 N6 O8 Pd2 -","2","1","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0426","0.0372","","","0.0853","0.0887","","","","","","1.108","","","","has coordinates","304871","2026-03-05","12:21:18",""
"1576197","21.5097","0.0009","21.5097","0.0009","15.9157","0.0011","90","","90","","90","","7363.7","0.7","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H32 N6 O4 Zn -","- C44 H32 N6 O4 Zn -","- C352 H256 N48 O32 Zn8 -","8","0.5","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0594","0.0429","","","0.1061","0.1166","","","","","","1.073","","","","has coordinates,has disorder","304871","2026-03-05","12:21:18",""
"1576198","38.9049","0.0011","5.6739","0.0002","24.1051","0.0006","90","","126.913","0.001","90","","4254.4","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 N6 O6 Pd S2 -","- C48 H44 N6 O6 Pd S2 -","- C192 H176 N24 O24 Pd4 S8 -","4","0.5","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0519","0.0329","","","0.0619","0.0685","","","","","","1.03","","","","has coordinates,has disorder","304871","2026-03-05","12:21:18",""
"1576199","7.0141","0.0007","17.2303","0.0016","20.2314","0.0017","90","","97.876","0.003","90","","2422","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 O4 Pd -","- C28 H25 N3 O4 Pd -","- C112 H100 N12 O16 Pd4 -","4","1","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0466","0.0378","","","0.0651","0.0689","","","","","","1.242","","","","has coordinates","304871","2026-03-05","12:21:18",""
"1576200","21.7492","0.0009","21.7492","0.0009","15.5858","0.001","90","","90","","90","","7372.5","0.6","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C46 H36 N6 O4 Zn -","- C46 H36 N6 O4 Zn -","- C368 H288 N48 O32 Zn8 -","8","0.5","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0581","0.0426","","","0.1078","0.1189","","","","","","1.091","","","","has coordinates","304871","2026-03-05","12:21:18",""
"1576201","23.5997","0.0004","23.5997","0.0004","23.5997","0.0004","90","","90","","90","","13143.8","0.4","100","","100","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C69 H54 Co N9 O6 -","- C69 H54.0009 Co N9 O6 -","- C552 H432.007 Co8 N72 O48 -","8","0.333333","","Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.","Hangman dipyrrin complexes.","Chemical science","2026","17","1","602","616","10.1039/d5sc06893b","","x-ray","0.71073","MoKα","K-L~3~","0.0605","0.05","","","0.1288","0.1376","","","","","","1.073","","","","has coordinates,has disorder","304871","2026-03-05","12:21:18",""
"1576202","9.9121","0.0005","23.2605","0.0011","21.4065","0.0011","90","","93.563","0.001","90","","4926","0.4","200","1","200","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H72 Cs F N O8 P -","- C47 H72 Cs F N O8 P -","- C188 H288 Cs4 F4 N4 O32 P4 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","","0.71073","MoKα","","0.0565","0.0444","","","0.0924","0.0967","","","","","","1.112","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576203","12.0403","0.0002","12.4082","0.0002","14.2936","0.0003","102.973","0.001","98.828","0.001","106.389","0.001","1941.96","0.06","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H52 N O2 P -","- C43 H52 N O2 P -","- C86 H104 N2 O4 P2 -","2","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","x-ray","1.54178","CuKα","","0.0555","0.0511","","","0.139","0.1442","","","","","","1.024","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576204","12.6836","0.0009","44.721","0.003","11.8935","0.0008","90","","98.973","0.001","90","","6663.7","0.8","200","2","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H90 N2 O4 P2 -","- C72 H90 N2 O4 P2 -","- C288 H360 N8 O16 P8 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","x-ray","0.71073","MoKα","","0.111","0.0789","","","0.1378","0.1487","","","","","","1.192","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576205","9.2969","0.0001","15.9116","0.0002","18.7341","0.0003","79.756","0.001","79.904","0.001","79.803","0.001","2654.3","0.06","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H83 K N O8 P -","- C52 H83 K N O8 P -","- C104 H166 K2 N2 O16 P2 -","2","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","","1.54178","CuKα","","0.0433","0.0398","","","0.1074","0.1107","","","","","","1.049","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576206","14.5374","0.0004","21.5756","0.0006","19.1473","0.0005","90","","96.87","0.002","90","","5962.5","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H89 K N O10 P -","- C56 H89 K N O10 P -","- C224 H356 K4 N4 O40 P4 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","x-ray","1.54178","CuKα","","0.0687","0.0474","","","0.1221","0.1354","","","","","","1.018","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576207","10.5896","0.0004","15.6048","0.0005","22.7972","0.0007","90","","90.184","0.002","90","","3767.2","0.2","200","1","200","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41.25 H51.75 F0.75 N O2 P -","- C41.25 H51.75 F0.75 N O2 P -","- C165 H207 F3 N4 O8 P4 -","4","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","x-ray","0.71073","MoKα","","0.112","0.0768","","","0.1674","0.1835","","","","","","1.089","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576208","14.5273","0.0002","16.7003","0.0002","17.1757","0.0002","118.647","0.001","101.045","0.001","96.322","0.001","3489.12","0.09","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H95 F N2 O4 P2 -","- C78 H95 F N2 O4 P2 -","- C156 H190 F2 N4 O8 P4 -","2","1","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","x-ray","1.54178","CuKα","","0.0496","0.0421","","","0.1101","0.1164","","","","","","1.028","","","","has coordinates,has disorder","304873","2026-03-05","12:22:03",""
"1576209","12.2271","0.0004","19.3733","0.0008","19.2094","0.0008","90","","96.632","0.003","90","","4519.9","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H128 Li4 N4 O7 P2 -","- C86 H128 Li4 N4 O7 P2 -","- C172 H256 Li8 N8 O14 P4 -","2","0.5","","Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence","Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.","Chemical science","2026","17","1","579","584","10.1039/d5sc06960b","","","1.54178","CuKα","","0.1594","0.1013","","","0.2819","0.3322","","","","","","1.09","","","","has coordinates","304873","2026-03-05","12:22:03",""
"1576210","16.47","0.0006","16.47","0.0006","15.5495","0.0008","90","","90","","120","","3652.9","0.3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C56 H48 Cl N18 -","- C56 H48 Cl N18 -","- C168 H144 Cl3 N54 -","3","0.166667","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Anion-driven supramolecular gel: naked-eye detection of picric acid, facilitating <i>in situ</i> formation of gel nanocomposites and enabling solid-state anion exchange.","Nanoscale","2025","17","46","26845","26854","10.1039/d5nr04099j","","","0.71073","MoKα","","0.1454","0.1393","","","0.4081","0.4276","","","","","","2.177","","","","has coordinates","303849","2025-11-29","21:32:28",""
"1576211","17.31","0.002","17.31","0.002","15.538","0.004","90","","90","","120","","4032","1.2","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C28 H24 Br N9 -","- C28 H24 Br N9 -","- C168 H144 Br6 N54 -","6","0.333333","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Anion-driven supramolecular gel: naked-eye detection of picric acid, facilitating <i>in situ</i> formation of gel nanocomposites and enabling solid-state anion exchange.","Nanoscale","2025","17","46","26845","26854","10.1039/d5nr04099j","","","0.71073","MoKα","","0.0965","0.0872","","","0.2488","0.2595","","","","","","1.096","","","","has coordinates","303849","2025-11-29","21:32:28",""
"1576212","17.333","0.003","17.333","0.003","15.209","0.003","90","","90","","120","","3957.1","1.2","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C28 H24 N10 O3 -","- C28 H24 N10 O3 -","- C168 H144 N60 O18 -","6","0.333333","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Anion-driven supramolecular gel: naked-eye detection of picric acid, facilitating <i>in situ</i> formation of gel nanocomposites and enabling solid-state anion exchange.","Nanoscale","2025","17","46","26845","26854","10.1039/d5nr04099j","","","0.71073","MoKα","","0.0733","0.0529","","","0.1481","0.1762","","","","","","1.056","","","","has coordinates","303849","2025-11-29","21:32:28",""
"1576213","8.2595","0.0004","16.3723","0.0008","29.508","0.0014","90","","90","","90","","3990.3","0.3","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H32 N9 O5 P S -","- C30 H32 N9 O5 P S -","- C120 H128 N36 O20 P4 S4 -","4","1","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Anion-driven supramolecular gel: naked-eye detection of picric acid, facilitating <i>in situ</i> formation of gel nanocomposites and enabling solid-state anion exchange.","Nanoscale","2025","17","46","26845","26854","10.1039/d5nr04099j","","","0.71073","MoKα","","0.1506","0.0923","","","0.1656","0.1907","","","","","","1.059","","","","has coordinates","303849","2025-11-29","21:32:28",""
"1576214","16.0579","0.0012","30.629","0.002","18.1661","0.0016","90","","97.854","0.007","90","","8851","1.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H76 B Cl2 Cu4 N4 P4 -","- C92 H76 B Cl2 Cu4 N4 P4 -","- C368 H304 B4 Cl8 Cu16 N16 P16 -","4","1","","Tian, Ye; Xu, Wenlong; Zhu, Jian; Lu, Jiayu; Chen, Zhaohang; Alam, Fakhari; Shen, Honglei; Kang, Xi; Zhu, Manzhou","Reductant-selected formation of copper nanoclusters with crystallization-induced emission enhancement performance.","Nanoscale","2025","17","45","26123","26128","10.1039/d5nr03478g","","x-ray","1.54186","CuKα","","0.0418","0.0374","","","0.0992","0.1031","","","","","","1.041","","","","has coordinates","303850","2025-11-29","21:32:51",""
"1576226","17.9924","0.0006","11.0902","0.0004","15.8252","0.0006","90","","100.242","0.001","90","","3107.43","0.19","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 F4 N O2 P -","- C16 H14 F4 N O2 P -","- C128 H112 F32 N8 O16 P8 -","8","1","","Pan, Ailin; Rotella, Madeline E.; Meng, Yamiao; Tian, Xun; Duan, Shengzu; Jiang, Yonggang; Deng, Guogang; Limburg, Bart; Zhang, Hongbin; Kozlowski, Marisa C.; Walsh, Patrick J.; Yang, Xiaodong","1,2-Hydrogen atom transfer of aminyl radicals under photoredox catalysis for the synthesis of α-amino phosphine oxides.","Chemical science","2026","17","1","412","420","10.1039/d5sc00268k","","x-ray","0.71073","MoKα","","0.0461","0.0404","","","0.0998","0.1036","","","","","","1.041","","","","has coordinates","304874","2026-03-05","12:22:13",""
"1576233","11.4773","0.0004","15.0019","0.0007","17.379","0.0007","111.95","0.001","96.586","0.002","109.074","0.001","2525.49","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H12 Ag B2 F36 N -","- C55 H12 Ag B2 F36 N -","- C110 H24 Ag2 B4 F72 N2 -","2","1","","Berg, Willi R.; Moshtaha, Amina L.; Sievers, Robin; Reimann, Marc; Streit, Tim-Niclas; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","A facile route to 'naked' Ag<sup>+</sup> ions enabling the coordination of the weak Lewis base Ni(CO)<sub>4</sub>.","Chemical science","2026","17","1","406","411","10.1039/d5sc05589j","","","0.71073","MoKα","","0.0388","0.0318","","","0.0745","0.0805","","","","","","1.085","","","","has coordinates,has disorder","304875","2026-03-05","12:22:25",""
"1576234","13.288","0.0005","28.0807","0.001","13.7219","0.0004","90","","91.614","0.001","90","","5118.1","0.3","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43.7 H6.2 Ag B2 Cl6.2 F30 N Ni0.9 O3.6 -","- C42.7 H4.2 Ag B2 Cl4.2 F30 N Ni0.9 O3.6 -","- C170.8 H16.8 Ag4 B8 Cl16.8 F120 N4 Ni3.6 O14.4 -","4","1","","Berg, Willi R.; Moshtaha, Amina L.; Sievers, Robin; Reimann, Marc; Streit, Tim-Niclas; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","A facile route to 'naked' Ag<sup>+</sup> ions enabling the coordination of the weak Lewis base Ni(CO)<sub>4</sub>.","Chemical science","2026","17","1","406","411","10.1039/d5sc05589j","","","0.71073","MoKα","","0.0595","0.0444","","","0.1064","0.1188","","","","","","1.059","","","","has coordinates,has disorder","304875","2026-03-05","12:22:26",""
"1576434","9.5078","0.0015","6.4427","0.0006","14.9087","0.0012","90","","95.172","0.01","90","","909.53","0.18","100","5","100","5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O6 Zn -","- C8 H9 N O6 Zn -","- C32 H36 N4 O24 Zn4 -","4","1","","Zhang, Tongtong; Wang, Xiangyu; Wright, Jack D.; Whitehead, George F. S.; Tidey, Jeremiah P.; Wong, Lu Shin; Riddell, Imogen A.","Enhanced stability and reusability of recombinant silicatein upon biomimetic metal-organic framework crystallization.","Chemical science","2026","17","6","3141","3147","10.1039/d5sc05521k","","electron","0.0251","electron","","0.1598","0.1437","","","0.2873","0.2966","","","","","","1.0358","","","","has coordinates","304231","2026-02-12","21:06:54",""
"1576435","10.6121","0.0005","11.5625","0.0007","32.624","0.002","90","","97.069","0.003","90","","3972.6","0.4","298","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H66 Au Br N2 O2 -","- C37 H66 Au Br N2 O2 -","- C148 H264 Au4 Br4 N8 O8 -","4","1","","Nezamzadeh, Ahmadreza; Chowdhury, Shayanta; Hu, Gaohe; Dominique, Nathaniel L.; Desroche, Emmett; Hossain, Sakiat; Aloisio, Mark D.; Furlan, Michael; Groome, Ryan R. K.; Boire, Kayla; McLean, Alastair B.; Jensen, Lasse; Camden, Jon P.; Crudden, Cathleen M.","Beyond wingtips: backbone alkylation affects the orientation of N-heterocyclic carbenes on gold nanoparticles.","Chemical science","2026","17","13","6717","6726","10.1039/d5sc05986k","","x-ray","0.71073","MoKα","","0.1166","0.0802","","","0.2019","0.2329","","","","","","1.092","","","","has coordinates","305331","2026-04-05","11:52:24",""
"1576436","10.605","0.0003","32.8095","0.001","11.2301","0.0003","90","","91.462","0.001","90","","3906.18","0.19","298","2","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H62 Au Br N2 O2 -","- C35 H62 Au Br N2 O2 -","- C140 H248 Au4 Br4 N8 O8 -","4","1","","Nezamzadeh, Ahmadreza; Chowdhury, Shayanta; Hu, Gaohe; Dominique, Nathaniel L.; Desroche, Emmett; Hossain, Sakiat; Aloisio, Mark D.; Furlan, Michael; Groome, Ryan R. K.; Boire, Kayla; McLean, Alastair B.; Jensen, Lasse; Camden, Jon P.; Crudden, Cathleen M.","Beyond wingtips: backbone alkylation affects the orientation of N-heterocyclic carbenes on gold nanoparticles.","Chemical science","2026","17","13","6717","6726","10.1039/d5sc05986k","","","0.71073","MoKα","","0.1024","0.0607","","","0.1562","0.1836","","","","","","1.02","","","","has coordinates","305331","2026-04-05","11:52:24",""
"1576437","14.1966","0.0006","18.2589","0.0008","27.0023","0.0012","103.529","0.002","98.747","0.003","105.155","0.002","6396.7","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C133 H144 B N7 -","- C133 H144 B N7 -","- C266 H288 B2 N14 -","2","1","","Wang, Xingtian; Chen, Jianxing; Ni, Songqian; Hu, Yu; Dai, Haorun; Xiao, Zezhu; Zhu, Weiguo; Chou, Pi-Tai; Wu, Xiugang","A TADF sensitizer moiety decorated MR emitter for enhancing spin-flip and anti-ACQ.","Chemical science","2026","17","13","6702","6709","10.1039/d5sc08829a","","","1.54178","CuKα","","0.1511","0.1014","","","0.2718","0.3057","","","","","","1.057","","","","has coordinates,has disorder","305327","2026-04-05","11:52:01",""
"1576438","8.3908","0.0002","8.8613","0.0002","13.4687","0.0003","97.962","0.002","99.148","0.002","90.96","0.002","978.4","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","6,12-Bis{[tri(i-propyl)silyl]ethynyl}-5,11-dihydropentaleno[1,2-b:4,5-b']dibenzothiophene","","- C10.5 H12.5 S0.5 Si0.5 -","- C10.5 H12.5 S0.5 Si0.5 -","- C42 H50 S2 Si2 -","4","2","","Isogai, Ryosuke; Yasui, Kosuke; Fukazawa, Aiko","Modular synthesis of benzothiophene-fused pentalenes reveals substituent-dependent antiaromaticity.","Chemical science","2026","17","6","3005","3011","10.1039/d5sc09325b","","","0.4108","synchrotron","","0.0416","0.0394","","","0.1095","0.1114","","","","","","1.083","","","","has coordinates,has disorder","304234","2026-02-12","21:07:57",""
"1576439","7.6823","0.0004","10.0325","0.0005","14.5626","0.0006","75.757","0.004","79.327","0.004","76.421","0.004","1047.75","0.09","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.0561","0.0507","","","0.1526","0.1617","","","","","","1.049","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576440","17.3008","0.0003","7.44911","0.00016","18.6556","0.0003","90","","90.8618","0.0017","90","","2403.98","0.08","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 O3 -","- C32 H30 O3 -","- C128 H120 O12 -","4","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.0475","0.0407","","","0.1065","0.1112","","","","","","1.044","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576441","13.3054","0.0003","17.9492","0.0003","12.5807","0.0003","90","","116.469","0.003","90","","2689.59","0.12","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H23 Cl3 O2 -","- C35 H23 Cl3 O2 -","- C140 H92 Cl12 O8 -","4","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.0593","0.0567","","","0.1649","0.1677","","","","","","1.076","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576442","10.3677","0.0001","13.9097","0.0002","16.4888","0.0002","90","","95.504","0.001","90","","2366.91","0.05","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 F3 O4 S -","- C30 H23 F3 O4 S -","- C120 H92 F12 O16 S4 -","4","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.0412","0.0407","","","0.1137","0.1143","","","","","","1.015","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576443","8.01237","0.00013","11.7893","0.0002","14.1489","0.0003","108.787","0.0018","98.5955","0.0015","94.2027","0.0015","1240.52","0.04","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 O4 -","- C36 H26 O4 -","- C72 H52 O8 -","2","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.0408","0.0386","","","0.1161","0.1187","","","","","","1.076","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576444","19.8054","0.0005","23.0253","0.0005","25.2516","0.0006","90","","105.763","0.002","90","","11082.3","0.5","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30.75 H25.75 Cl2.25 O2 -","- C30.75 H25.75 Cl2.25 O2 -","- C492 H412 Cl36 O32 -","16","4","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.1139","0.0901","","","0.2739","0.2934","","","","","","1.079","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576445","11.2328","0.0004","11.3152","0.0005","24.1172","0.0008","97.562","0.003","99.303","0.003","91.481","0.003","2995.2","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 F6 O8 S2 -","- C60 H44 F6 O8 S2 -","- C120 H88 F12 O16 S4 -","2","1","","Kurokawa, Kazuma; Kohyama, Aki; Kuroda, Yusuke; Tao-Kakuyama, Keisuke; Takikawa, Hiroshi; Takasu, Kiyosei","Self-induced charge transfer activation enables metal-free C-H coupling of polycyclic aromatic hydrocarbons under photo irradiation.","Chemical science","2026","17","10","4942","4947","10.1039/d5sc09144f","","x-ray","1.54184","CuKα","","0.1112","0.0877","","","0.2568","0.2774","","","","","","0.849","","","","has coordinates","305323","2026-04-05","11:47:48",""
"1576446","14.347","0.003","14.439","0.003","15.615","0.003","105.046","0.012","92.561","0.012","108.743","0.011","2929","1.1","173","","173","","","","","","","","","4","P -1","-P 1","2","","PhBPy-HC","","- C43 H28 B N -","- C43 H28 B N -","- C172 H112 B4 N4 -","4","2","","Wang, Min; Liu, Zhi-Qiang; Zhao, Cui-Hua","B ← N Lewis pair fusion of [6]helicene: one way to integrate circularly polarized luminescence with two-photon absorption.","Chemical science","2026","17","13","6426","6437","10.1039/d5sc08697c","","","1.54178","CuKα","","0.1842","0.092","","","0.2226","0.3138","","","","","","0.939","","","","has coordinates","305326","2026-04-05","11:51:52",""
"1576447","27.5353","0.0016","13.9114","0.0007","12.6024","0.0007","90","","94.797","0.003","90","","4810.5","0.5","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NFBPy-HC","","- C62 H32 B Cl3 F10 N2 -","- C62 H32 B Cl3 F10 N2 -","- C248 H128 B4 Cl12 F40 N8 -","4","1","","Wang, Min; Liu, Zhi-Qiang; Zhao, Cui-Hua","B ← N Lewis pair fusion of [6]helicene: one way to integrate circularly polarized luminescence with two-photon absorption.","Chemical science","2026","17","13","6426","6437","10.1039/d5sc08697c","","","1.54178","CuKα","","0.1279","0.1067","","","0.2976","0.3242","","","","","","0.983","","","","has coordinates","305326","2026-04-05","11:51:52",""
"1576448","12.69645","0.00013","5.25071","0.00005","18.54221","0.00017","90","","94.5151","0.0009","90","","1232.29","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O3 S -","- C12 H15 N O3 S -","- C48 H60 N4 O12 S4 -","4","1","","Hwang, Meemie U.; Gogoi, Achyut; Scurria, Matthew; Gutierrez, Osvaldo; Scheidt, Karl A.","Photochemical cyclization of α-amino esters to access 3-azetidinones.","Chemical science","2026","17","13","6766","6772","10.1039/d5sc09994c","","x-ray","1.54184","CuKα","","0.0357","0.0327","","","0.0839","0.0866","","","","","","1.08","","","","has coordinates","305334","2026-04-05","11:52:41",""
"1576449","25.0211","0.0006","8.3937","0.0003","25.1936","0.0006","90","","97.585","0.002","90","","5244.9","0.3","100.3","0.6","100.3","0.6","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H25 Cl F3 N3 O6 S2 -","- C22.5 H25 Cl F3 N3 O6 S2 -","- C180 H200 Cl8 F24 N24 O48 S16 -","8","1","","Hwang, Meemie U.; Gogoi, Achyut; Scurria, Matthew; Gutierrez, Osvaldo; Scheidt, Karl A.","Photochemical cyclization of α-amino esters to access 3-azetidinones.","Chemical science","2026","17","13","6766","6772","10.1039/d5sc09994c","","x-ray","1.54184","CuKα","","0.0733","0.07","","","0.1841","0.1875","","","","","","1.082","","","","has coordinates,has disorder","305334","2026-04-05","11:52:41",""
"1576450","10.6584","0.0006","10.8794","0.0007","16.6188","0.0011","90","","90","","90","","1927.1","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N3 O3 -","- C20 H27 N3 O3 -","- C80 H108 N12 O12 -","4","1","","Hwang, Meemie U.; Gogoi, Achyut; Scurria, Matthew; Gutierrez, Osvaldo; Scheidt, Karl A.","Photochemical cyclization of α-amino esters to access 3-azetidinones.","Chemical science","2026","17","13","6766","6772","10.1039/d5sc09994c","","x-ray","1.54184","CuKα","","0.0909","0.0693","","","0.179","0.1955","","","","","","1.063","","","","has coordinates","305334","2026-04-05","11:52:41",""
"1576469","21.9582","0.0011","15.4314","0.0009","20.0065","0.0009","90","","109.032","0.002","90","","6408.5","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 N4 O18 S4 -","- C64 H72 N4 O18 S4 -","- C256 H288 N16 O72 S16 -","4","1","","Alarcon-Miranda, Carlos; Middleton, Isis A.; Rusli, Olivia; Caceres-Herrera, Nicolas; Bhadbhade, Mohan; Rijs, Nicole J.; Thordarson, Pall; Kogan, Marcelo J.; Saitz, Claudio","<i>N</i>-Arylsulfonamidocalix[4]arenes with narrow pH-responsive binding near neutral pH.","Chemical science","2026","17","6","3293","3299","10.1039/d5sc07965a","","","0.71073","MoKα","","0.0803","0.0656","","","0.141","0.1491","","","","","","1.09","","","","has coordinates,has disorder","304240","2026-02-12","21:13:43",""
"1576470","20.84","0.003","19.926","0.002","22.459","0.003","90","","99.284","0.01","90","","9204","2","120.15","","120.15","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C68.75 H67 F12 N4 Na5 O24.75 S8 -","- C68.75 H67 F12 N4 Na O24.75 S8 -","- C275 H268 F48 N16 Na4 O99 S32 -","4","0.5","","Alarcon-Miranda, Carlos; Middleton, Isis A.; Rusli, Olivia; Caceres-Herrera, Nicolas; Bhadbhade, Mohan; Rijs, Nicole J.; Thordarson, Pall; Kogan, Marcelo J.; Saitz, Claudio","<i>N</i>-Arylsulfonamidocalix[4]arenes with narrow pH-responsive binding near neutral pH.","Chemical science","2026","17","6","3293","3299","10.1039/d5sc07965a","","","0.71073","MoKα","","0.1428","0.1208","","","0.2692","0.2836","","","","","","1.089","","","","has coordinates,has disorder","304240","2026-02-12","21:13:43",""
"1576471","11.117","0.0003","15.9224","0.0005","17.8651","0.0005","78.036","0.001","81.905","0.001","84.906","0.001","3056.97","0.15","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C28.5 H29 B3 Cl N2 Os P Se2 -","- C28 H28 B3 N2 Os P Se2 -","- C112 H112 B12 N8 Os4 P4 Se8 -","4","2","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.039","0.0282","","","0.0668","0.0712","","","","","","1.0285","","","","has coordinates","304241","2026-02-12","21:14:57",""
"1576472","11.0801","0.0015","11.7542","0.0012","34.23","0.004","90","","90.696","0.005","90","","4457.7","0.9","301","2","301","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H47 B2 N Os P2 Se2 -","- C48 H47 B2 N Os P2 Se2 -","- C192 H188 B8 N4 Os4 P8 Se8 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0414","0.0308","","","0.0742","0.0785","","","","","","1.052","","","","has coordinates,has disorder","304241","2026-02-12","21:14:57",""
"1576473","12.1253","0.0009","18.0329","0.001","12.381","0.0009","90","","91.515","0.003","90","","2706.2","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 Cl N2 Os P Se2 -","- C28 H23 Cl N2 Os P Se2 -","- C112 H92 Cl4 N8 Os4 P4 Se8 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0296","0.0226","","","0.0487","0.0517","","","","","","1.016","","","","has coordinates","304241","2026-02-12","21:14:58",""
"1576474","12.7281","0.0008","9.4036","0.0006","15.1331","0.0009","90","","101.48","0.002","90","","1775.04","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H21 B7 N2 Os Se2 -","- C10 H21 B7 N2 Os Se2 -","- C40 H84 B28 N8 Os4 Se8 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0184","0.0136","","","0.0327","0.0333","","","","","","0.817","","","","has coordinates","304241","2026-02-12","21:14:58",""
"1576475","19.9615","0.0018","17.6882","0.0017","11.2486","0.0011","90","","95.367","0.003","90","","3954.3","0.6","269","2","269","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 N2 Os P2 Se2 -","- C46 H38 N2 Os P2 Se2 -","- C184 H152 N8 Os4 P8 Se8 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.1373","0.0729","","","0.1442","0.1605","","","","","","1.069","","","","has coordinates","304241","2026-02-12","21:14:58",""
"1576476","9.5636","0.0005","15.361","0.0008","25.2268","0.0015","90","","100.93","","90","","3638.8","0.3","156","2","156","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 Cl2 N Os P2 Se -","- C41 H34 Cl2 N Os P2 Se -","- C164 H136 Cl8 N4 Os4 P8 Se4 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0442","0.0336","","","0.068","0.0724","","","","","","1.045","","","","has coordinates,has disorder","304241","2026-02-12","21:14:58",""
"1576477","15.3411","0.0005","9.6807","0.0003","20.0705","0.0005","90","","90","","90","","2980.72","0.15","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H33 B4 N2 Os P Se2 -","- C28 H33 B4 N2 Os P Se2 -","- C112 H132 B16 N8 Os4 P4 Se8 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0261","0.0218","","","0.0433","0.0449","","","","","","1.036","","","","has coordinates","304241","2026-02-12","21:14:58",""
"1576478","10.8616","0.0007","30.8022","0.0019","14.9297","0.001","90","","97.324","0.002","90","","4954.1","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 B2 F12 N2 Os P Se3 -","- C51 H39 B2 F12 N2 Os P Se3 -","- C204 H156 B8 F48 N8 Os4 P4 Se12 -","4","1","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.0769","0.0506","","","0.104","0.1149","","","","","","1.042","","","","has coordinates,has disorder","304241","2026-02-12","21:14:58",""
"1576479","20.9226","0.0009","24.4708","0.0012","24.7349","0.0012","73.662","0.002","84.215","0.002","87.098","0.002","12087.5","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C69.5 H49 B F12 N2 Os P2 S4 -","- C69.5 H49 B F12 N2 Os P2 S4 -","- C417 H294 B6 F72 N12 Os6 P12 S24 -","6","3","","Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal","Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.","Chemical science","2026","17","6","3129","3140","10.1039/d5sc06346a","","","0.71073","MoKα","","0.1385","0.0622","","","0.1417","0.1864","","","","","","0.992","","","","has coordinates,has disorder","304241","2026-02-12","21:14:58",""
"1576480","5.8549","0.0006","10.5165","0.0009","18.8417","0.0017","90","","90","","90","","1160.14","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F N O3 S -","- C11 H10 F N O3 S -","- C44 H40 F4 N4 O12 S4 -","4","1","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","0.71073","MoKα","","0.0521","0.044","","","0.1204","0.1248","","","","","","1.103","","","","has coordinates","304242","2026-02-12","21:16:48",""
"1576481","7.3211","0.0001","8.0126","0.0001","11.5027","0.0001","81.753","0.001","75.228","0.001","78.644","0.001","636.584","0.013","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C11 H11 F I N O3 S -","- C11 H11 F I N O3 S -","- C22 H22 F2 I2 N2 O6 S2 -","2","1","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","1.54184","CuKα","","0.0263","0.0261","","","0.0668","0.0669","","","","","","1.066","","","","has coordinates","304242","2026-02-12","21:16:48",""
"1576482","7.4669","0.0006","7.9789","0.0005","9.334","0.0008","90","","109.895","0.009","90","","522.91","0.08","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H8 F N O3 S -","- C10 H8 F N O3 S -","- C20 H16 F2 N2 O6 S2 -","2","1","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","0.71073","MoKα","","0.0412","0.0358","","","0.0792","0.0821","","","","","","1.059","","","","has coordinates","304242","2026-02-12","21:16:49",""
"1576483","14.3378","0.0005","5.8654","0.0002","21.9011","0.0008","90","","105.905","0.004","90","","1771.31","0.11","169.99","0.1","169.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 F I N O3 S -","- C5 H7 F I N O3 S -","- C40 H56 F8 I8 N8 O24 S8 -","8","1","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","1.54184","CuKα","","0.0342","0.0321","","","0.0833","0.085","","","","","","1.079","","","","has coordinates,has disorder","304242","2026-02-12","21:16:49",""
"1576484","7.6473","0.0002","7.7662","0.0003","10.9617","0.0004","74.713","0.003","77.55","0.003","77.289","0.003","603.94","0.04","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 F2 I2 N2 O6 S2 -","- C20 H18 F2 I2 N2 O6 S2 -","- C20 H18 F2 I2 N2 O6 S2 -","1","0.5","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","1.54184","CuKα","","0.0375","0.0361","","","0.098","0.1009","","","","","","0.787","","","","has coordinates","304242","2026-02-12","21:16:49",""
"1576485","10.9165","0.0001","16.1273","0.0002","12.2969","0.0001","90","","91.946","0.001","90","","2163.67","0.04","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F N O7 S -","- C22 H24 F N O7 S -","- C88 H96 F4 N4 O28 S4 -","4","1","","Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya","Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.","Chemical science","2026","17","6","3313","3319","10.1039/d5sc08502k","","x-ray","1.54184","CuKα","","0.0381","0.0345","","","0.0868","0.089","","","","","","1.068","","","","has coordinates","304242","2026-02-12","21:16:49",""
"1576486","29.5583","0.0009","7.7632","0.0002","37.7963","0.0011","90","","110.197","0.003","90","","8139.7","0.4","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C52 H56 Si2 -","- C52 H56 Si2 -","- C416 H448 Si16 -","8","1","","Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel","High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model.","Chemical science","2026","17","13","6653","6661","10.1039/d5sc09423b","","","0.81022","Synchrotron","","0.1072","0.0601","","","0.137","0.1581","","","","","","1.019","","","","has coordinates","305330","2026-04-05","11:52:20",""
"1576487","28.6941","0.0014","17.8984","0.0009","9.3498","0.0005","90","","94.361","0.002","90","","4788","0.4","200","","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Si2 -","- C60 H60 Si2 -","- C240 H240 Si8 -","4","0.5","","Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel","High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model.","Chemical science","2026","17","13","6653","6661","10.1039/d5sc09423b","","","0.71073","MoKα","","0.0897","0.0565","","","0.1402","0.1649","","","","","","1.045","","","","has coordinates","305330","2026-04-05","11:52:20",""
"1576488","6.957","0.0008","34.975","0.004","15.1996","0.0014","90","","95.349","0.009","90","","3682.3","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Si2 -","- C44 H52 Si2 -","- C176 H208 Si8 -","4","1","","Dhbaibi, Kais; Le Thi, Huong; Marrot, Jérôme; Hayakawa, Masahiro; Mamada, Masashi; Frigoli, Michel","High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model.","Chemical science","2026","17","13","6653","6661","10.1039/d5sc09423b","","","1.54184","CuKα","","0.1762","0.1329","","","0.3508","0.385","","","","","","1.042","","","","has coordinates,has disorder","305330","2026-04-05","11:52:20",""
"1576493","9.7587","0.0016","14.161","0.003","9.8462","0.0015","90","","102.373","0.009","90","","1329.1","0.4","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H58 F6 O6 S2 Si2 -","- C54 H58 F6 O6 S2 Si2 -","- C54 H58 F6 O6 S2 Si2 -","1","0.5","","Chen, Zhe; Zhang, Junjie; Wang, Chuan","Reductive desymmetric silylation of biaryl bis(triflates) enabled by a chiral nickel/picolinamide complex.","Chemical science","2026","17","13","6710","6716","10.1039/d5sc09250g","","","1.34139","GaKα","","0.0616","0.059","","","0.1538","0.1598","","","","","","1.075","","","","has coordinates","305332","2026-04-05","11:52:29",""
"1576494","9.0699","0.0001","17.0862","0.0003","19.4067","0.0003","90","","90","","90","","3007.46","0.08","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 Cl2 N5 Ni O2 -","- C29 H29 Cl2 N5 Ni O2 -","- C116 H116 Cl8 N20 Ni4 O8 -","4","1","","Chen, Zhe; Zhang, Junjie; Wang, Chuan","Reductive desymmetric silylation of biaryl bis(triflates) enabled by a chiral nickel/picolinamide complex.","Chemical science","2026","17","13","6710","6716","10.1039/d5sc09250g","","","1.34139","GaKα","","0.0528","0.0419","","","0.1053","0.1111","","","","","","1.091","","","","has coordinates","305332","2026-04-05","11:52:29",""
"1576495","9.1143","0.0005","7.2877","0.0003","12.1106","0.0006","90","","98.273","0.002","90","","796.04","0.07","296","2","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 O S -","- C19 H20 O S -","- C38 H40 O2 S2 -","2","1","","Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei","Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.","Chemical science","2026","17","6","3171","3177","10.1039/d5sc08731g","","","0.71073","MoKα","","0.0563","0.0424","","","0.0952","0.1027","","","","","","1.041","","","","has coordinates","304246","2026-02-12","21:18:56",""
"1576496","10.1006","0.0003","10.2657","0.0004","17.658","0.0008","90","","90","","90","","1830.95","0.12","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F O3 S -","- C19 H25 F O3 S -","- C76 H100 F4 O12 S4 -","4","1","","Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei","Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.","Chemical science","2026","17","6","3171","3177","10.1039/d5sc08731g","","","1.34139","GaKα","","0.0786","0.0714","","","0.1743","0.1806","","","","","","1.053","","","","has coordinates","304246","2026-02-12","21:18:57",""
"1576497","6.9914","0.0001","8.3848","0.0002","30.4141","0.0006","90","","90","","90","","1782.92","0.06","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F O3 S -","- C19 H25 F O3 S -","- C76 H100 F4 O12 S4 -","4","1","","Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei","Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.","Chemical science","2026","17","6","3171","3177","10.1039/d5sc08731g","","","1.34139","GaKα","","0.0452","0.0426","","","0.0975","0.0988","","","","","","1.125","","","","has coordinates","304246","2026-02-12","21:18:57",""
"1576498","5.918","0.0003","8.0256","0.0004","16.8884","0.0009","90","","98.632","0.002","90","","793.04","0.07","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H40 O4 S2 -","- C36 H40 O4 S2 -","- C36 H40 O4 S2 -","1","0.5","","Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei","Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.","Chemical science","2026","17","6","3171","3177","10.1039/d5sc08731g","","","1.34139","GaKα","","0.05","0.043","","","0.1003","0.1087","","","","","","1.052","","","","has coordinates","304246","2026-02-12","21:18:57",""
"1576499","17.922","0.0005","17.922","0.0005","11.4729","0.0005","90","","90","","120","","3191.37","0.19","170","","170","","","","","","","","","4","P 65","P 65","170","","","","- C22 H26 O S -","- C22 H26 O S -","- C132 H156 O6 S6 -","6","1","","Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei","Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.","Chemical science","2026","17","6","3171","3177","10.1039/d5sc08731g","","","1.34139","GaKα","","0.0666","0.0474","","","0.107","0.1158","","","","","","1.014","","","","has coordinates","304246","2026-02-12","21:18:57",""
"1576504","68.988","0.004","16.9569","0.001","10.6338","0.0011","90","","93.366","0.006","90","","12418.2","1.6","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 Cl4 N2 O2 -","- C72 H54 Cl4 N2 O2 -","- C576 H432 Cl32 N16 O16 -","8","1","","Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit","Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs.","Chemical science","2026","17","13","6677","6687","10.1039/d5sc05305f","","x-ray","0.56","synchrotron","","0.2396","0.2189","","","0.5321","0.565","","","","","","1.06","","","","has coordinates,has disorder","305325","2026-04-05","11:51:43",""
"1576505","33.9339","0.0007","9.7569","0.0002","34.8054","0.0008","90","","106.6","0.002","90","","11043.4","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C132 H47 N O2 -","- C132 H47 N O2 -","- C528 H188 N4 O8 -","4","1","","Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit","Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs.","Chemical science","2026","17","13","6677","6687","10.1039/d5sc05305f","","x-ray","1.54184","CuKα","","0.1567","0.1425","","","0.4572","0.4756","","","","","","1.593","","","","has coordinates,has disorder","305325","2026-04-05","11:51:43",""
"1576506","10.3442","0.0003","17.7628","0.0006","37.0847","0.001","90","","91.107","0.003","90","","6812.7","0.4","150","0.14","150","0.14","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C72 H47 N O2 -","- C72 H47 N O2 -","- C288 H188 N4 O8 -","4","2","","Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit","Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs.","Chemical science","2026","17","13","6677","6687","10.1039/d5sc05305f","","x-ray","1.54184","CuKα","","0.173","0.1177","","","0.2966","0.3587","","","","","","1.032","","","","has coordinates","305325","2026-04-05","11:51:43",""
"1576507","18.8736","0.0005","31.9978","0.0008","14.3224","0.0004","90","","96.305","0.003","90","","8597.2","0.4","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C105 H105 -","- C84 H56 -","- C336 H224 -","4","1","","Xiang, Xiaoshuang; Hermann, Mathias; Ye, Lei; Seitz, Philipp; Estaque, Lilian; Pieters, Grégory; Drewello, Thomas; Esser, Birgit","Diketo[<i>n</i>]CPPs as chiral and shape-adaptive fullerene hosts and precursors to DBP[<i>n</i>]CPPs.","Chemical science","2026","17","13","6677","6687","10.1039/d5sc05305f","","x-ray","1.54184","CuKα","","0.1226","0.0704","","","0.1788","0.2219","","","","","","0.946","","","","has coordinates","305325","2026-04-05","11:51:43",""
"1576508","10.2979","0.0001","11.7884","0.0001","19.1733","0.0002","90","","90","","90","","2327.56","0.04","275.8","0.1","275.8","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O2 S -","- C27 H26 N2 O2 S -","- C108 H104 N8 O8 S4 -","4","1","","Xiao, Teng-Fei; Jian, Ke-Rui; Gu, Yu-Cheng; Xu, Guo-Qiang; Xu, Peng-Fei","Asymmetric vicinal C(sp<sup>3</sup>)-H difunctionalization of saturated cyclic amines <i>via</i> synergistic photoredox, copper and chiral phosphoric acid catalysis.","Chemical science","2026","17","6","3240","3247","10.1039/d5sc06987d","","x-ray","1.54184","CuKα","","0.039","0.0364","","","0.0956","0.0977","","","","","","1.069","","","","has coordinates","304251","2026-02-12","21:22:59",""
"1576509","9.5986","0.0004","5.3235","0.0002","29.7891","0.001","90","","92.314","0.004","90","","1520.93","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C80 H60 N12 O8 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","","0.0478","0.0382","","","0.0947","0.1017","","","","","","1.028","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576510","6.0168","0.0005","18.9903","0.0019","16.5285","0.0014","90","","99.923","0.008","90","","1860.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 O2 -","- C24 H16 N4 O2 -","- C96 H64 N16 O8 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.1153","0.0781","","","0.1714","0.1872","","","","","","1.141","","","","has coordinates,has disorder","305328","2026-04-05","11:52:07",""
"1576511","11.948","0.0004","8.2148","0.0003","14.0992","0.0005","90","","104.638","0.004","90","","1338.93","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O S -","- C13 H16 N4 O S -","- C52 H64 N16 O4 S4 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0333","0.0306","","","0.0821","0.084","","","","","","1.054","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576512","11.6154","0.0011","11.9297","0.0012","11.8935","0.0012","118.435","0.003","91.579","0.003","114.295","0.003","1268.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Cl4 N3 O2 Zn -","- C26 H19 Cl4 N3 O2 Zn -","- C52 H38 Cl8 N6 O4 Zn2 -","2","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","","0.0961","0.041","","","0.0988","0.1019","","","","","","1.07","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576513","5.586","0.0004","9.8008","0.0007","27.2637","0.0018","90","","93.122","0.006","90","","1490.4","0.18","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C19 H14 N4 O2 -","- C19 H14 N4 O2 -","- C76 H56 N16 O8 -","4","2","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0978","0.0888","","","0.2455","0.252","","","","","","1.08","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576514","14.6062","0.0012","5.3852","0.0004","19.6687","0.0012","90","","92.433","0.007","90","","1545.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0629","0.0526","","","0.1396","0.1459","","","","","","1.096","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576515","10.6903","0.0005","18.2865","0.0007","8.5178","0.0004","90","","108.1","0.005","90","","1582.73","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O2 S -","- C19 H14 N2 O2 S -","- C76 H56 N8 O8 S4 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0659","0.0497","","","0.1258","0.1358","","","","","","1.046","","","","has coordinates,has disorder","305328","2026-04-05","11:52:07",""
"1576516","4.4595","0.0002","24.1919","0.0008","17.1497","0.0006","90","","90.031","0.004","90","","1850.17","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N3 O2 -","- C25 H17 N3 O2 -","- C100 H68 N12 O8 -","4","1","","Dharmasivam, Mahendiran; Faiz, Sadia; Kaya, Busra; Wijesinghe, Tharushi P.; Suleymanoglu, Mediha; Azad, Mahan Gholam; Richardson, Vera; Zahoor, Ameer Fawad; Kalinowski, Danuta; Lewis, William; Bernhardt, Paul V.; Anjum, Rukhsana; Richardson, Des R.","Implementing the design cues of dissociation dynamics and transmetalation in gallium(iii) complexes to promote the anti-proliferative activity of ligands targeting intracellular iron(ii) trafficking.","Chemical science","2026","17","13","6546","6563","10.1039/d5sc06084b","","x-ray","1.54184","CuKα","K-L~2,3~","0.064","0.0446","","","0.114","0.1295","","","","","","1.031","","","","has coordinates","305328","2026-04-05","11:52:07",""
"1576517","11.0201","0.0007","13.1886","0.0008","15.303","0.001","100.628","0.003","90.218","0.003","106.976","0.003","2086.8","0.2","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C98 H90 Br2 Cu2 N2 P4 -","- C98 H90 Br2 Cu2 N2 P4 -","- C98 H90 Br2 Cu2 N2 P4 -","1","0.5","","Li, Xiao; Guo, Sai; Liu, Xin; Sun, Yu-Fu; Zhang, Dong-Hai; Yang, Hui; Lu, Jia-Min; Chen, Xu-Lin","Suppressing nonradiative decay <i>via</i> molecular configuration control in Cu(i)-halide clusters enables the fabrication of highly efficient green and green-sensitized blue OLEDs.","Chemical science","2026","17","13","6477","6487","10.1039/d5sc09307d","","","0.71073","MoKα","","0.127","0.0557","","","0.1099","0.1388","","","","","","1.015","","","","has coordinates","305329","2026-04-05","11:52:14",""
"1576518","14.69","0.005","15.389","0.005","18.808","0.006","89.86","0.013","80.343","0.012","77.503","0.013","4090","2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H70 Br2 Cu2 N2 P4 -","- C90 H70 Br2 Cu2 N2 P4 -","- C180 H140 Br4 Cu4 N4 P8 -","2","1","","Li, Xiao; Guo, Sai; Liu, Xin; Sun, Yu-Fu; Zhang, Dong-Hai; Yang, Hui; Lu, Jia-Min; Chen, Xu-Lin","Suppressing nonradiative decay <i>via</i> molecular configuration control in Cu(i)-halide clusters enables the fabrication of highly efficient green and green-sensitized blue OLEDs.","Chemical science","2026","17","13","6477","6487","10.1039/d5sc09307d","","","0.71073","MoKα","","0.0583","0.0402","","","0.0933","0.1023","","","","","","1.027","","","","has coordinates","305329","2026-04-05","11:52:14",""
"1576519","12.5737","0.0014","15.727","0.0017","16.9192","0.0018","82.334","0.006","83.447","0.006","77.717","0.006","3227.2","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H44 N2 Zn -","- C39 H44 N2 Zn -","- C156 H176 N8 Zn4 -","4","2","","Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa","Zincafluorene complex with an empty C-Zn π orbital that captures visible light.","Chemical science","2026","17","6","3023","3030","10.1039/d5sc09340f","","","0.4144","synchrotron","","0.0626","0.0436","","","0.1053","0.1141","","","","","","1.036","","","","has coordinates","304254","2026-02-12","21:25:03",""
"1576520","16.0503","0.0004","18.7163","0.0005","26.6927","0.0007","90","","90","","90","","8018.5","0.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","C49H59NZn","","- C49 H59 N Zn -","- C49 H59 N Zn -","- C392 H472 N8 Zn8 -","8","1","","Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa","Zincafluorene complex with an empty C-Zn π orbital that captures visible light.","Chemical science","2026","17","6","3023","3030","10.1039/d5sc09340f","","x-ray","0.71073","MoKα","","0.0683","0.0457","","","0.1509","0.1626","","","","","","1.187","","","","has coordinates,has disorder","304254","2026-02-12","21:25:04",""
"1576521","13.8577","0.0004","16.6434","0.0004","14.0019","0.0004","90","","92.432","0.003","90","","3226.48","0.15","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C37H48NOZn","C37H48NOZn","","- C37 H48 N O Zn -","- C37 H48 N O Zn -","- C148 H192 N4 O4 Zn4 -","4","1","","Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa","Zincafluorene complex with an empty C-Zn π orbital that captures visible light.","Chemical science","2026","17","6","3023","3030","10.1039/d5sc09340f","","x-ray","0.71073","MoKα","","0.053","0.0376","","","0.1188","0.1289","","","","","","0.95","","","","has coordinates","304254","2026-02-12","21:25:04",""
"1576522","12.6466","0.0001","15.9905","0.0001","17.0143","0.0001","83.503","0.001","84.141","0.001","78.022","0.001","3333.24","0.04","123","","123","","","","","","","","","4","P -1","-P 1","2","","C39H46N2Zn","","- C39 H46 N2 Zn -","- C39 H46 N2 Zn -","- C156 H184 N8 Zn4 -","4","2","","Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa","Zincafluorene complex with an empty C-Zn π orbital that captures visible light.","Chemical science","2026","17","6","3023","3030","10.1039/d5sc09340f","","x-ray","0.71073","MoKα","","0.0758","0.06","","","0.1586","0.1645","","","","","","1.249","","","","has coordinates","304254","2026-02-12","21:25:04",""
"1576523","17.7824","0.0005","17.7824","0.0005","46.121","0.002","90","","90","","120","","12630.2","0.7","200","","200","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C75 H69 Ag3 N14 O12 S3 -","- C75 H69 Ag3 N14 O12 S3 -","- C450 H414 Ag18 N84 O72 S18 -","6","0.333333","","Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui","Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control.","Chemical science","2026","17","10","4948","4954","10.1039/d5sc08561f","","","0.71073","MoKα","","0.0651","0.0507","","","0.1404","0.1534","","","","","","1.034","","","","has coordinates,has disorder","305324","2026-04-05","11:48:09",""
"1576524","13.5048","0.0015","15.8262","0.0017","20.59","0.003","104.418","0.003","97.72","0.003","112.87","0.003","3793.1","0.8","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H72 Ag3 F3 N14 O9 S3 -","- C63 H72 Ag3 F3 N14 O9 S3 -","- C126 H144 Ag6 F6 N28 O18 S6 -","2","1","","Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui","Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control.","Chemical science","2026","17","10","4948","4954","10.1039/d5sc08561f","","","0.71073","MoKα","","0.1257","0.0757","","","0.2066","0.2509","","","","","","1.035","","","","has coordinates,has disorder","305324","2026-04-05","11:48:09",""
"1576525","35.0187","0.0002","35.0187","0.0002","51.3873","0.0004","90","","90","","90","","63016.7","0.7","100","0.1","100","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C252 H264 Ag12 F36 N56 O36 S12 -","- C252 H264 Ag12 F36 N56 O36 S12 -","- C2016 H2112 Ag96 F288 N448 O288 S96 -","8","1","","Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui","Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control.","Chemical science","2026","17","10","4948","4954","10.1039/d5sc08561f","","x-ray","1.54184","CuKα","","0.1196","0.0882","","","0.2443","0.2651","","","","","","1.06","","","","has coordinates,has disorder","305324","2026-04-05","11:48:09",""
"1576526","35.2602","0.0013","35.2602","0.0013","51.837","0.003","90","","90","","90","","64448","5","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C252 H264 Ag12 F36 N56 O36 S12 -","- C252 H264 Ag12 F36 N56 O36 S12 -","- C2016 H2112 Ag96 F288 N448 O288 S96 -","8","1","","Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui","Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control.","Chemical science","2026","17","10","4948","4954","10.1039/d5sc08561f","","","0.71073","MoKα","","0.1335","0.0793","","","0.2212","0.2674","","","","","","1.026","","","","has coordinates","305324","2026-04-05","11:48:09",""
"1576527","27.1868","0.0001","27.1868","0.0001","27.1868","0.0001","90","","90","","90","","20094.4","0.13","100","0.1","100.15","","","","","","","","","7","P 43 3 2","P 4acd 2ab 3","212","","","","- C75 H54 Ag3 F9 N14 O9 S3 -","- C74.9999 H54 Ag3 F8.9997 N14 O8.9997 S3 -","- C599.999 H432 Ag24 F71.9976 N112 O71.9976 S24 -","8","0.333333","","Liu, Jin; Nan, Zi-Ang; Li, Qing; Shen, Chuan-Qi; Wang, Zuo-Bei; Lin, Fu-Lin; Chen, Ting; Liu, Lu-Yao; Xie, Zhuo-Zhou; Zhuo, Zhu; Wang, Wei; Huang, You-Gui","Unlocking spontaneous chiral resolution in silver clusters through steric and anionic control.","Chemical science","2026","17","10","4948","4954","10.1039/d5sc08561f","","","0.71073","MoKα","","0.0804","0.0697","","","0.1954","0.2061","","","","","","1.09","","","","has coordinates,has disorder","305324","2026-04-05","11:48:09",""
"1576528","9.14295","0.0001","10.25505","0.00013","20.8149","0.0003","90","","90","","90","","1951.63","0.04","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O4 -","- C20 H25 N3 O4 -","- C80 H100 N12 O16 -","4","1","","Hughes, Owen R.; Tufail, Afzaal; Hutton, Esme; Nabarro, Joe; Howarth, Rachel; Yates, Nicholas D.; Whitwood, Adrian C.; Robson, Craig N.; Signoret, Nathalie; Fascione, Martin A.; Spicer, Christopher D.; Unsworth, William P.","N-terminal protein-macrocycles enabled by conjugate addition/ring expansion cascade reactions.","Chemical science","2026","17","6","3320","3328","10.1039/d5sc08044d","","x-ray","1.54184","CuKα","","0.0277","0.0265","","","0.064","0.0645","","","","","","1.029","","","","has coordinates","304256","2026-02-12","21:27:13",""
"1576531","24.6687","0.0009","19.2311","0.0009","29.3029","0.0015","90","","113.233","0.003","90","","12774.2","1","100","0.2","100","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C92 H188 Dy Mo12 O56 P5 -","- C92 H188 Dy Mo12 O56 P5 -","- C368 H752 Dy4 Mo48 O224 P20 -","4","1","","Lowe, Ethan; Rouzières, Mathieu; Dugmore, Sarah K.; Kelly, Christopher; Wilson, Claire; Canaj, Angelos B.; Clérac, Rodolphe; Murrie, Mark","Highly reducible polyoxometalate-Dy(iii) SMM hybrid materials with exceptional charge stability.","Chemical science","2026","17","6","3248","3258","10.1039/d5sc07950k","","","0.71073","MoKα","","0.0765","0.0691","","","0.1423","0.1461","","","","","","1.116","","","","has coordinates,has disorder","304258","2026-02-12","21:28:03",""
"1576532","24.5974","0.0015","19.2115","0.0012","29.5224","0.0019","90","","113.102","0.002","90","","12832.1","1.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H142 Dy Mo12 O49 P5 -","- C72 H142 Dy Mo12 O49 P5 -","- C288 H568 Dy4 Mo48 O196 P20 -","4","1","","Lowe, Ethan; Rouzières, Mathieu; Dugmore, Sarah K.; Kelly, Christopher; Wilson, Claire; Canaj, Angelos B.; Clérac, Rodolphe; Murrie, Mark","Highly reducible polyoxometalate-Dy(iii) SMM hybrid materials with exceptional charge stability.","Chemical science","2026","17","6","3248","3258","10.1039/d5sc07950k","","","1.54178","CuKα","","0.0694","0.0686","","","0.1609","0.1617","","","","","","1.028","","","","has coordinates,has disorder","304258","2026-02-12","21:28:03",""
"1576549","11.608","0.0004","11.608","0.0004","33.2403","0.0016","90","","90","","120","","3878.9","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C55 H70 N2 O6 Zn2 -","- C55 H70 N2 O6 Zn2 -","- C165 H210 N6 O18 Zn6 -","3","1","","Ray, Ranay Kumar; Kumari, Manoj; Mondal, Kartik Chandra; Chakraborty, Debashis","Chiral proline-derived Zn(ii) complexes as catalysts for ring-opening polymerization and ring-opening copolymerization reactions","Polymer Chemistry","2026","17","7","758","769","10.1039/D5PY01089F","","","0.71073","MoKα","","0.056","0.0534","","","0.1162","0.1172","","","","","","1.226","","","","has coordinates,has disorder","305450","2026-04-05","12:28:18",""
"1576550","11.1571","0.0004","20.5403","0.0009","20.6397","0.0007","90","","90","","90","","4730","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H58 F4 N2 O6 Zn2 -","- C48 H58 F4 N2 O6 Zn2 -","- C192 H232 F16 N8 O24 Zn8 -","4","1","","Ray, Ranay Kumar; Kumari, Manoj; Mondal, Kartik Chandra; Chakraborty, Debashis","Chiral proline-derived Zn(ii) complexes as catalysts for ring-opening polymerization and ring-opening copolymerization reactions","Polymer Chemistry","2026","17","7","758","769","10.1039/D5PY01089F","","","0.71073","MoKα","","0.0339","0.028","","","0.0627","0.065","","","","","","1.021","","","","has coordinates","305450","2026-04-05","12:28:18",""
"1576551","3.8427","0.0001","10.7309","0.0004","11.2638","0.0005","77.306","0.004","84.19","0.003","89.289","0.003","450.77","0.03","150","","150","","","","","","","","","3","P -1","-P 1","2","","Dimethyl terephthalate (II)","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","","Sapegin, Denis A.; Kuznetsov, Danila A.; Penny, Edward J.; Cockcroft, Jeremy K.; Bear, Joseph C.","Molecular insight into a disulfonimide-bearing diol: synthesis, characterisation and access to poly(disulfonimide)s","Polymer Chemistry","2026","17","6","679","689","10.1039/D5PY01171J","","x-ray","1.54184","CuKα","","0.0537","0.0421","","","0.1131","0.1215","","","","","","1.029","","","","has coordinates,has disorder","304398","2026-02-13","02:22:50",""
"1576552","17.6722","0.0004","14.9571","0.0003","6.8177","0.0003","90","","90","","90","","1802.09","0.1","130","","130","","","","","","","","","5","P b a m","-P 2 2ab","55","","3,4-bischlorosulfonyl-benzoic acid","","- C15 H14 Cl2 O6 S2 -","- C7 H4 Cl2 O6 S2 -","- C28 H16 Cl8 O24 S8 -","4","0.5","","Sapegin, Denis A.; Kuznetsov, Danila A.; Penny, Edward J.; Cockcroft, Jeremy K.; Bear, Joseph C.","Molecular insight into a disulfonimide-bearing diol: synthesis, characterisation and access to poly(disulfonimide)s","Polymer Chemistry","2026","17","6","679","689","10.1039/D5PY01171J","","x-ray","1.54184","CuKα","","0.0812","0.0741","","","0.2211","0.2285","","","","","","1.099","","","","has coordinates,has disorder","304398","2026-02-13","02:22:50",""
"1576553","30.4347","0.0004","30.4347","0.0004","8.9629","0.0002","90","","90","","90","","8302.1","0.2","292.99","0.1","292.99","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C40 H36 Cl3 N3 Pd -","- C40 H36 Cl3 N3 Pd -","- C320 H288 Cl24 N24 Pd8 -","8","1","","Feng, Juan-Juan; Guo, Yuman; Song, Qian; Guo, Ze-Cheng; Liu, Feng-Shou","Room-temperature Suzuki–Miyaura polycondensation of aryl dichloride monomers enabled by “large-but-flexible” Pd-NHC precatalysts","Polymer Chemistry","2026","17","5","539","550","10.1039/D5PY01111F","","x-ray","1.54184","CuKα","","0.0622","0.0556","","","0.1474","0.1549","","","","","","1.034","","","","has coordinates","304399","2026-02-13","02:23:49",""
"1576554","12.0167","0.0001","20.6583","0.0002","17.1121","0.0002","90","","101.764","0.001","90","","4158.76","0.07","300.03","0.1","300.03","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Cl4 N4 Pd -","- C42 H44 Cl4 N4 Pd -","- C168 H176 Cl16 N16 Pd4 -","4","1","","Feng, Juan-Juan; Guo, Yuman; Song, Qian; Guo, Ze-Cheng; Liu, Feng-Shou","Room-temperature Suzuki–Miyaura polycondensation of aryl dichloride monomers enabled by “large-but-flexible” Pd-NHC precatalysts","Polymer Chemistry","2026","17","5","539","550","10.1039/D5PY01111F","","x-ray","1.54184","CuKα","","0.0588","0.052","","","0.1528","0.1611","","","","","","1.06","","","","has coordinates,has disorder","304399","2026-02-13","02:23:50",""
"1576555","19.8191","0.0007","23.1145","0.0009","18.5583","0.0009","90","","104.135","0.004","90","","8244.3","0.6","260.03","0.1","260.03","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Cl3 N3 Pd -","- C42 H40 Cl3 N3 Pd -","- C336 H320 Cl24 N24 Pd8 -","8","2","","Feng, Juan-Juan; Guo, Yuman; Song, Qian; Guo, Ze-Cheng; Liu, Feng-Shou","Room-temperature Suzuki–Miyaura polycondensation of aryl dichloride monomers enabled by “large-but-flexible” Pd-NHC precatalysts","Polymer Chemistry","2026","17","5","539","550","10.1039/D5PY01111F","","x-ray","0.71073","MoKα","","0.0736","0.0515","","","0.1089","0.1225","","","","","","0.994","","","","has coordinates,has disorder","304399","2026-02-13","02:23:50",""
"1576556","27.2892","0.0001","27.5522","0.0002","17.8561","0.0001","90","","90","","90","","13425.6","0.13","298.61","0.1","298.61","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C37 H38 Cl2 N2 O Pd -","- C37 H38 Cl2 N2 O Pd -","- C592 H608 Cl32 N32 O16 Pd16 -","16","2","","Feng, Juan-Juan; Guo, Yuman; Song, Qian; Guo, Ze-Cheng; Liu, Feng-Shou","Room-temperature Suzuki–Miyaura polycondensation of aryl dichloride monomers enabled by “large-but-flexible” Pd-NHC precatalysts","Polymer Chemistry","2026","17","5","539","550","10.1039/D5PY01111F","","x-ray","1.54184","CuKα","","0.0534","0.0487","","","0.1423","0.1478","","","","","","1.035","","","","has coordinates,has disorder","304399","2026-02-13","02:23:50",""
"1576566","17.2915","0.0011","13.2926","0.0006","14.2063","0.0008","90","","122.833","0.006","90","","2743.7","0.3","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12.5 H13 Cl0.5 Co0.5 N2 O3.5 -","- C12.5 H13 Cl0.5 Co0.5 N2 O3.5 -","- C100 H104 Cl4 Co4 N16 O28 -","8","1","","Itagaki, Ren; Nakada, Akinobu; Suzuki, Hajime; Tomita, Osamu; Abe, Ryu","Active control of forward/backward charge transfer in Z-scheme water splitting: manipulating electrostatic affinity/repulsion between photocatalyst surface and electron mediator.","Chemical science","2026","17","13","6379","6389","10.1039/d5sc10049f","","","0.71073","MoKα","","0.0812","0.0746","","","0.213","0.2182","","","","","","1.125","","","","has coordinates,has disorder","305333","2026-04-05","11:52:37",""
"1576584","7.245","0.0012","31.353","0.005","23.751","0.004","90","","91.88","0.003","90","","5392.2","1.5","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H58 B30 Cl2 -","- C44 H58 B30 Cl2 -","- C176 H232 B120 Cl8 -","4","0.5","","Yuhara, Kazuhiro; Takemori, Sota; Yanagihara, Takumi; Ohtani, Shunsuke; Ogoshi, Tomoki; Tanaka, Kazuo","Guest-induced emission enhancement in the permanent porous conjugated carboracycle crystal.","Chemical science","2026","17","7","3691","3699","10.1039/d5sc08753h","","","0.71075","MoKα","","0.1374","0.1211","","","0.3743","0.3971","","","","","","1.586","","","","has coordinates","304887","2026-03-05","12:31:59",""
"1576585","7.2884","0.0017","31.271","0.007","23.733","0.006","90","","92.054","0.003","90","","5406","2","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H58 B30 Br2 -","- C44 H58 B30 Br2 -","- C176 H232 B120 Br8 -","4","0.5","","Yuhara, Kazuhiro; Takemori, Sota; Yanagihara, Takumi; Ohtani, Shunsuke; Ogoshi, Tomoki; Tanaka, Kazuo","Guest-induced emission enhancement in the permanent porous conjugated carboracycle crystal.","Chemical science","2026","17","7","3691","3699","10.1039/d5sc08753h","","","0.71075","MoKα","","0.0981","0.0807","","","0.2287","0.2454","","","","","","1.082","","","","has coordinates","304887","2026-03-05","12:31:59",""
"1576586","17.168","0.004","17.984","0.005","22.621","0.008","69.09","0.008","67.933","0.009","63.812","0.008","5653","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H102 Al2 F72 Ga2 O9 P4 -","- C86 H102 Al2 F72 Ga2 O9 P4 -","- C172 H204 Al4 F144 Ga4 O18 P8 -","2","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.0952","0.0676","","","0.1788","0.2133","","","","","","0.874","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576587","15.677","0.002","23.421","0.004","31.572","0.005","90","","90","","90","","11592","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C90 H102 Al2 F72 Ga2 O9 P4 -","- C90 H102 Al2 F72 Ga2 O9 P4 -","- C360 H408 Al8 F288 Ga8 O36 P16 -","4","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.0527","0.0487","","","0.1271","0.1314","","","","","","1.018","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576588","13.55","0.004","27.099","0.005","15.504","0.004","90","","91.2","0.007","90","","5692","2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C86 H99 Al2 F72 Ga2 N O8 P4 -","- C86 H99 Al2 F72 Ga2 N O8 P4 -","- C172 H198 Al4 F144 Ga4 N2 O16 P8 -","2","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.1063","0.0889","","","0.2511","0.2781","","","","","","1.044","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576589","18.26","0.003","29.497","0.005","22.081","0.004","90","","96.514","0.009","90","","11816","4","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C90 H103 Al2 F72 Ga2 N O8 P4 -","- C90 H103 Al2 F72 Ga2 N O8 P4 -","- C360 H412 Al8 F288 Ga8 N4 O32 P16 -","4","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.0302","0.0291","","","0.0786","0.0798","","","","","","1.039","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576590","15.468","0.005","18.034","0.004","22.835","0.005","81.311","0.012","72.12","0.005","86.298","0.008","5991","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C96 H107 Al2 F72 Ga2 N O8 P4 -","- C96 H107 Al2 F72 Ga2 N O8 P4 -","- C192 H214 Al4 F144 Ga4 N2 O16 P8 -","2","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.0526","0.0447","","","0.1171","0.1255","","","","","","1.06","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576591","18.462","0.005","27.562","0.006","37.435","0.009","86.961","0.006","88.862","0.007","75.387","0.01","18406","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C278 H297 Al7 F244 Ga6 O26 P12 -","- C277.996 H297 Al7 F243.991 Ga6 O25.999 P12 -","- C555.992 H594 Al14 F487.982 Ga12 O51.998 P24 -","2","1","","Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo","Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.","Chemical science","2026","17","8","4004","4020","10.1039/d5sc09508e","","x-ray","0.71073","MoKα","","0.1243","0.099","","","0.2598","0.2809","","","","","","1.1","","","","has coordinates,has disorder","304881","2026-03-05","12:25:48",""
"1576597","9.5496","0.0007","10.108","0.0008","17.362","0.0016","90.483","0.007","97.956","0.007","100.119","0.006","1633","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","2","","Liu, Yang; Xie, Zi-Yi; Kloene, Lennard; Xu, Cong-Lun; Tai, Jian-Peng; Zhu, Yu; Cai, Bao-Gui; Pan, Chongqing; Koenigs, Rene M.; Xuan, Jun","Visible light-induced 1,2-alkoxy shift of α-diazoacetates for Wolff rearrangements - access to oxyketenes.","Chemical science","2026","17","7","3587","3592","10.1039/d5sc08263c","","x-ray","0.71073","MoKα","","0.1432","0.1126","","","0.2851","0.308","","","","","","1.08","","","","has coordinates","304888","2026-03-05","12:32:15",""
"1576598","8.505","0.0003","9.0705","0.0002","13.1678","0.0004","84.919","0.002","71.48","0.003","75.36","0.002","931.91","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C46 H42 N2 O4 -","2","1","","Liu, Yang; Xie, Zi-Yi; Kloene, Lennard; Xu, Cong-Lun; Tai, Jian-Peng; Zhu, Yu; Cai, Bao-Gui; Pan, Chongqing; Koenigs, Rene M.; Xuan, Jun","Visible light-induced 1,2-alkoxy shift of α-diazoacetates for Wolff rearrangements - access to oxyketenes.","Chemical science","2026","17","7","3587","3592","10.1039/d5sc08263c","","x-ray","1.54184","CuKα","","0.0671","0.0542","","","0.1537","0.1643","","","","","","1.045","","","","has coordinates","304888","2026-03-05","12:32:15",""
"1576599","12.8522","0.0006","12.8465","0.0006","5.2547","0.0003","90","","90","","90","","867.58","0.08","273.15","","273.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C10.01 H12.01 F2 Li N5 O4 S2 -","- C10 H12 F2 Li N5 O4 S2 -","- C20 H24 F4 Li2 N10 O8 S4 -","2","0.5","","Nishiguchi, Taichi; Kageyama, Kotoha; Kurihara, Takuya; Shimanaka, Nanae; Tokuda, Shun; Tsuda, Shuto; Ma, Nattapol; Horike, Satoshi","Soft crystalline properties of 2D frameworks constructed from lithium ions and dinitriles.","Chemical science","2026","17","7","3669","3674","10.1039/d5sc06222e","","x-ray","0.71073","MoKα","","0.0962","0.0368","","","0.0783","0.0995","","","","","","1.016","","","","has coordinates,has disorder","304889","2026-03-05","12:32:52",""
"1576600","21.3025","0.0001","21.3025","0.0001","6.4513","0.0001","90","","90","","90","","2927.58","0.05","100","0.1","100","0.1","","","","","","","","7","P -4","P -4","81","","","","- C26 H24 F6 Li N5 O4 S2 -","- C26 H24 F6 Li N5 O4 S2 -","- C104 H96 F24 Li4 N20 O16 S8 -","4","1","","Nishiguchi, Taichi; Kageyama, Kotoha; Kurihara, Takuya; Shimanaka, Nanae; Tokuda, Shun; Tsuda, Shuto; Ma, Nattapol; Horike, Satoshi","Soft crystalline properties of 2D frameworks constructed from lithium ions and dinitriles.","Chemical science","2026","17","7","3669","3674","10.1039/d5sc06222e","","x-ray","1.54184","CuKα","","0.0278","0.0261","","","0.0703","0.0716","","","","","","1.044","","","","has coordinates","304889","2026-03-05","12:32:52",""
"1576601","5.1756","0.0004","15.2002","0.0013","20.2029","0.0015","90","","90","","90","","1589.4","0.2","273.15","","273.15","","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C9 H10 F2 Li N5 O4 S2 -","- C9 H10 F2 Li N5 O4 S2 -","- C36 H40 F8 Li4 N20 O16 S8 -","4","0.5","","Nishiguchi, Taichi; Kageyama, Kotoha; Kurihara, Takuya; Shimanaka, Nanae; Tokuda, Shun; Tsuda, Shuto; Ma, Nattapol; Horike, Satoshi","Soft crystalline properties of 2D frameworks constructed from lithium ions and dinitriles.","Chemical science","2026","17","7","3669","3674","10.1039/d5sc06222e","","x-ray","0.71073","MoKα","","0.0892","0.063","","","0.1841","0.2039","","","","","","1.072","","","","has coordinates,has disorder","304889","2026-03-05","12:32:52",""
"1576602","13.6403","0.0001","7.84","0.0001","25.3454","0.0002","90","","94.102","0.001","90","","2703.49","0.05","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O S -","- C17 H12 N2 O S -","- C136 H96 N16 O8 S8 -","8","1","","Chen-Wu, Jialei; Benitez-Martin, Carlos; González-Delgado, José A; de Jong, Flip; Fron, Eduard; Steurs, Gert; Martínez-Martínez, Antonio J; Nájera, Francisco; Grøtli, Morten; Hofkens, Johan; Andréasson, Joakim; Pischel, Uwe","Heteroaryl iminothioindoxyl (HA-ITI) photoswitches <i>via</i> regioselective aza-Wittig synthesis: unifying red-shifted absorption, large <i>E</i>/<i>Z</i> band separation, and tunable thermal recovery.","Chemical science","2026","17","7","3658","3668","10.1039/d5sc08074f","","x-ray","1.54184","CuKα","","0.0336","0.0333","","","0.0921","0.0923","","","","","","1.136","","","","has coordinates","304890","2026-03-05","12:33:29",""
"1576603","19.736","0.0004","4.8714","0.0001","26.2576","0.0004","90","","101.07","0.002","90","","2477.49","0.08","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H9 N3 O S -","- C15 H9 N3 O S -","- C120 H72 N24 O8 S8 -","8","1","","Chen-Wu, Jialei; Benitez-Martin, Carlos; González-Delgado, José A; de Jong, Flip; Fron, Eduard; Steurs, Gert; Martínez-Martínez, Antonio J; Nájera, Francisco; Grøtli, Morten; Hofkens, Johan; Andréasson, Joakim; Pischel, Uwe","Heteroaryl iminothioindoxyl (HA-ITI) photoswitches <i>via</i> regioselective aza-Wittig synthesis: unifying red-shifted absorption, large <i>E</i>/<i>Z</i> band separation, and tunable thermal recovery.","Chemical science","2026","17","7","3658","3668","10.1039/d5sc08074f","","x-ray","0.71073","MoKα","","0.0469","0.038","","","0.1024","0.107","","","","","","1.045","","","","has coordinates","304890","2026-03-05","12:33:29",""
"1576604","7.6266","0.0001","7.9225","0.0001","24.4377","0.0003","81.144","0.001","82.116","0.001","64.126","0.001","1308.64","0.03","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N3 O S -","- C16 H11 N3 O S -","- C64 H44 N12 O4 S4 -","4","2","","Chen-Wu, Jialei; Benitez-Martin, Carlos; González-Delgado, José A; de Jong, Flip; Fron, Eduard; Steurs, Gert; Martínez-Martínez, Antonio J; Nájera, Francisco; Grøtli, Morten; Hofkens, Johan; Andréasson, Joakim; Pischel, Uwe","Heteroaryl iminothioindoxyl (HA-ITI) photoswitches <i>via</i> regioselective aza-Wittig synthesis: unifying red-shifted absorption, large <i>E</i>/<i>Z</i> band separation, and tunable thermal recovery.","Chemical science","2026","17","7","3658","3668","10.1039/d5sc08074f","","x-ray","1.54184","CuKα","","0.0357","0.0341","","","0.0917","0.0929","","","","","","1.056","","","","has coordinates","304890","2026-03-05","12:33:29",""
"1576654","4.8602","0.0001","14.2036","0.0002","25.7174","0.0004","90","","90","","90","","1775.33","0.05","106","1","106","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Au Cl N2 O3 S -","- C17 H18 Au Cl N2 O3 S -","- C68 H72 Au4 Cl4 N8 O12 S4 -","4","1","","Ochs, Jasmine; Metzler-Nolte, Nils","Identification of Au-hydrides as key intermediates in the reduction of Au(iii) prodrugs to active Au(i) species under protic conditions.","Chemical science","2026","17","8","4183","4190","10.1039/d5sc06212h","","x-ray","1.54184","CuKα","","0.0409","0.0391","","","0.104","0.1055","","","","","","1.0205","","","","has coordinates","304622","2026-02-26","00:39:05",""
"1576655","17.2761","0.0003","6.7454","0.0001","18.9344","0.0003","90","","115.37","0.002","90","","1993.71","0.06","100","0.3","100","0.3","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H42 Au2 Cl4 N4 O6 S2 -","- C32 H42 Au2 Cl4 N4 O6 S2 -","- C64 H84 Au4 Cl8 N8 O12 S4 -","2","1","","Ochs, Jasmine; Metzler-Nolte, Nils","Identification of Au-hydrides as key intermediates in the reduction of Au(iii) prodrugs to active Au(i) species under protic conditions.","Chemical science","2026","17","8","4183","4190","10.1039/d5sc06212h","","x-ray","1.54184","CuKα","","0.0365","0.0352","","","0.0962","0.0969","","","","","","1.0391","","","","has coordinates,has disorder","304622","2026-02-26","00:39:06",""
"1576656","9.5245","0.0002","12.652","0.0003","12.721","0.0003","75.746","0.002","68.755","0.002","77.174","0.002","1369.73","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C52 H44 Eu2 N14 O18 -","- C52 H44 Eu2 N14 O18 -","- C52 H44 Eu2 N14 O18 -","1","1","","Li, Ru-Yan; Tang, Meng-Juan; Li, Yun-Lan; Yang, Fan; Zou, Hua-Hong; Wang, Hai-Ling; Zhu, Zhong-Hong","Improving the conjugation of organic ligands enhances the antenna effect and promotes the luminescence and optical imaging of chiral mononuclear Eu(iii) complexes.","Chemical science","2026","17","8","4157","4167","10.1039/d5sc09594h","","x-ray","0.71073","MoKα","","0.0348","0.0317","","","0.0945","0.0995","","","","","","0.7534","","","","has coordinates","304883","2026-03-05","12:26:22",""
"1576657","9.5275","0.0002","12.6485","0.0003","12.7241","0.0004","75.718","0.003","68.74","0.003","77.16","0.002","1369.8","0.07","100","0.18","100","0.18","","","","","","","","5","P 1","P 1","1","","","","- C52 H44 Eu2 N14 O18 -","- C52 H44 Eu2 N14 O18 -","- C52 H44 Eu2 N14 O18 -","1","1","","Li, Ru-Yan; Tang, Meng-Juan; Li, Yun-Lan; Yang, Fan; Zou, Hua-Hong; Wang, Hai-Ling; Zhu, Zhong-Hong","Improving the conjugation of organic ligands enhances the antenna effect and promotes the luminescence and optical imaging of chiral mononuclear Eu(iii) complexes.","Chemical science","2026","17","8","4157","4167","10.1039/d5sc09594h","","x-ray","1.54184","CuKα","","0.0713","0.0706","","","0.1782","0.1793","","","","","","1.0388","","","","has coordinates","304883","2026-03-05","12:26:22",""
"1576658","27.554","0.002","28.71","0.002","17.7286","0.0016","90","","90","","90","","14024.7","1.9","100","2","100","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C35 H43 Mn N6 O5 -","- C35 H43 Mn N6 O5 -","- C560 H688 Mn16 N96 O80 -","16","2","","De, Puja; Adabala, Snehith; Samanta, Soumya; Mukhopadhyay, Kuntal; Ghosh, Soumya; Sen Gupta, Sayam","Unprecedented HAT rate acceleration in water by a non-heme manganese oxo complex.","Chemical science","2026","17","8","4042","4049","10.1039/d5sc06475a","","","0.71073","MoKα","","0.19","0.1098","","","0.2247","0.2633","","","","","","1.029","","","","has coordinates","304880","2026-03-05","12:24:58",""
"1576659","13.9931","0.0001","16.3697","0.0001","37.9318","0.0002","90","","90","","90","","8688.77","0.09","100.15","","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3.55 H5.2 Cl0.08 Mn0.08 N0.58 O0.33 -","- C3.54639 H5.19588 Cl0.0824742 Mn0.0824742 N0.57732 O0.329897 -","- C344 H504 Cl8 Mn8 N56 O32 -","97","12.125","","De, Puja; Adabala, Snehith; Samanta, Soumya; Mukhopadhyay, Kuntal; Ghosh, Soumya; Sen Gupta, Sayam","Unprecedented HAT rate acceleration in water by a non-heme manganese oxo complex.","Chemical science","2026","17","8","4042","4049","10.1039/d5sc06475a","","","1.54184","CuKα","","0.0331","0.0293","","","0.0755","0.0773","","","","","","1.053","","","","has coordinates","304880","2026-03-05","12:24:58",""
"1576660","16.485","0.002","6.2347","0.0007","12.105","0.0018","90","","99.627","0.013","90","","1226.6","0.3","302.33","0.1","302.33","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 -","- C34 H30 -","- C68 H60 -","2","0.5","","Shi, Xiaomei; Chen, Xinyu; Huang, Yu; Liu, Zuyuan; Zhao, Bo; Yan, Lingpeng; Zhang, Teng-Shuo; Fu, Hongbing; Wang, Long","Efficient singlet fission in rubicene null aggregates.","Chemical science","2026","17","8","4168","4173","10.1039/d5sc06978e","","x-ray","1.54184","CuKα","","0.1033","0.0798","","","0.2448","0.2706","","","","","","1.079","","","","has coordinates,has disorder","304882","2026-03-05","12:25:59",""
"1576661","15.0386","0.0005","14.8556","0.0006","18.6742","0.0006","90","","90","","90","","4172","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5?-Me","","- C26 H23 N3 O2 -","- C26 H23 N3 O2 -","- C208 H184 N24 O16 -","8","1","","Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","<i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons.","Chemical science","2026","17","8","3998","4003","10.1039/d5sc09309k","","x-ray","0.71073","MoKα","","0.0569","0.0445","","","0.1072","0.1133","","","","","","1.016","","","","has coordinates","304626","2026-02-26","00:41:23",""
"1576662","14.901","0.0014","10.1314","0.0007","13.5202","0.0011","90","","104.524","0.009","90","","1975.9","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","compound 5","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","<i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons.","Chemical science","2026","17","8","3998","4003","10.1039/d5sc09309k","","x-ray","0.71073","MoKα","","0.1325","0.0729","","","0.1769","0.2126","","","","","","0.987","","","","has coordinates","304626","2026-02-26","00:41:23",""
"1576663","15.3604","0.001","9.5211","0.0007","15.3873","0.001","90","","107.325","0.007","90","","2148.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 8","","- C25.04 H20.04 I N3 O2 -","- C25.0386 H20.0386 I N3 O2 -","- C100.154 H80.1544 I4 N12 O8 -","4","1","","Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","<i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons.","Chemical science","2026","17","8","3998","4003","10.1039/d5sc09309k","","x-ray","0.71073","MoKα","","0.0711","0.0566","","","0.127","0.1307","","","","","","1.176","","","","has coordinates,has disorder","304626","2026-02-26","00:41:24",""
"1576664","26.78","0.003","3.886","0.0004","19.6341","0.0018","90","","102.831","0.01","90","","1992.2","0.4","123","2","123","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","tribenzo[a,c,j]picene (compound 11)","","- C17 H10 -","- C17 H10 -","- C136 H80 -","8","1","","Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","<i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons.","Chemical science","2026","17","8","3998","4003","10.1039/d5sc09309k","","x-ray","0.71073","MoKα","","0.0712","0.0527","","","0.1322","0.1416","","","","","","1.056","","","","has coordinates","304626","2026-02-26","00:41:24",""
"1576665","13.5872","0.0007","14.1035","0.0005","25.9503","0.001","90","","90","","90","","4972.8","0.4","293","2","293.02","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C50 H42 O10 -","- C48 H34 O8 -","- C192 H136 O32 -","4","0.5","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","x-ray","1.54178","CuKα","K-L~3~","0.1424","0.1025","","","0.3132","0.3795","","","","","","1.036","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576666","14.9347","0.0007","14.1589","0.0005","25.2455","0.0008","90","","90","","90","","5338.4","0.4","180","2","180.02","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C60 H58 O8 -","- C60 H58 O8 -","- C240 H232 O32 -","4","0.5","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","x-ray","1.54178","CuKα","K-L~3~","0.1897","0.1477","","","0.2725","0.2872","","","","","","0.992","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576667","13.444","0.003","14.142","0.003","25.861","0.005","90","","90","","90","","4916.8","1.8","273","","273","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C98 H74 O16 -","- C97.6 H72.8 O16 -","- C195.2 H145.6 O32 -","2","0.25","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","","1.54178","CuKα","","0.1137","0.0735","","","0.214","0.2661","","","","","","0.991","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576668","13.4088","0.0007","14.1154","0.0005","25.8758","0.0009","90","","90","","90","","4897.5","0.4","150","2","150.02","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H46 O8 -","- C52 H46 O8 -","- C208 H184 O32 -","4","0.5","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","x-ray","1.54178","CuKα","K-L~3~","0.1547","0.0978","","","0.2836","0.3545","","","","","","1.092","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576669","13.4893","0.0005","14.0799","0.0004","25.9348","0.0008","90","","90","","90","","4925.7","0.3","150","2","150.02","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C50 H34 O8 -","- C49.6 H34 O8 -","- C198.4 H136 O32 -","4","0.5","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","x-ray","1.54178","CuKα","K-L~3~","0.1673","0.079","","","0.2205","0.2918","","","","","","1.019","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576670","13.4346","0.0013","14.1142","0.0009","25.8466","0.0017","90","","90","","90","","4901","0.7","273","","273","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C51 H34 O8 -","- C49.6 H34 O8 -","- C198.4 H136 O32 -","4","0.5","","Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo","Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.","Chemical science","2026","17","8","4256","4267","10.1039/d5sc08507a","","","1.54178","CuKα","","0.146","0.0961","","","0.2877","0.3477","","","","","","1.091","","","","has coordinates,has disorder","304886","2026-03-05","12:27:28",""
"1576671","18.355","0.0004","27.2455","0.0006","34.3754","0.0007","90","","99.767","0.002","90","","16941.7","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H88 Cl I2 N52 O24 S2 -","- C98 H88 Cl I2 N52 O24 S2 -","- C392 H352 Cl4 I8 N208 O96 S8 -","4","1","","Nie, Haigen; Tan, Jiao; Luo, Yi; Ni, Xin-Long","A cucurbit[8]uril-triggered ionic photosensitizer in solution and solid states: selective control of <sup>1</sup>O<sub>2</sub> and O<sub>2</sub>˙<sup>-</sup> generation.","Chemical science","2026","17","8","4137","4144","10.1039/d5sc06904a","","x-ray","1.54184","CuKα","","0.1063","0.0754","","","0.2024","0.2261","","","","","","1.039","","","","has coordinates,has disorder","304628","2026-02-26","00:42:59",""
"1576672","18.2818","0.0008","27.2752","0.001","34.8195","0.001","90","","101.584","0.004","90","","17008.7","1.1","100.01","0.1","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H92 Cl I2 N52 O26 S2 -","- C100 H92 Cl I2 N52 O26 S2 -","- C400 H368 Cl4 I8 N208 O104 S8 -","4","1","","Nie, Haigen; Tan, Jiao; Luo, Yi; Ni, Xin-Long","A cucurbit[8]uril-triggered ionic photosensitizer in solution and solid states: selective control of <sup>1</sup>O<sub>2</sub> and O<sub>2</sub>˙<sup>-</sup> generation.","Chemical science","2026","17","8","4137","4144","10.1039/d5sc06904a","","","1.54184","CuKα","","0.126","0.0776","","","0.2069","0.2505","","","","","","0.953","","","","has coordinates,has disorder","304628","2026-02-26","00:42:59",""
"1576683","8.0151","0.0003","10.3158","0.0004","10.4456","0.0003","69.794","0.003","68.844","0.003","78.767","0.003","753.45","0.05","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 Cl2 N2 Ru -","- C13 H22 Cl2 N2 Ru -","- C26 H44 Cl4 N4 Ru2 -","2","1","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0721","0.0724","","","","","","1.081","","","","has coordinates","304879","2026-03-05","12:24:32",""
"1576684","19.55034","0.00008","11.01135","0.00005","12.79041","0.00005","90","","99.3053","0.0004","90","","2717.23","0.02","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl2 N Ru -","- C12 H17 Cl2 N Ru -","- C96 H136 Cl16 N8 Ru8 -","8","2","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","x-ray","1.54184","CuKα","","0.0209","0.0208","","","0.0565","0.0566","","","","","","1.186","","","","has coordinates","304879","2026-03-05","12:24:36",""
"1576685","8.13073","0.00013","11.29004","0.00018","19.3239","0.0003","90","","101.849","0.0014","90","","1736.06","0.05","300.26","0.1","300.26","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N2 O3 Ru -","- C17 H26 N2 O3 Ru -","- C68 H104 N8 O12 Ru4 -","4","1","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","x-ray","0.71073","MoKα","","0.0395","0.0324","","","0.0922","0.0957","","","","","","1.058","","","","has coordinates,has disorder","304879","2026-03-05","12:24:38",""
"1576686","8.8497","0.0002","10.6779","0.0001","11.6417","0.0002","69.313","0.001","75.853","0.001","76.141","0.001","983.62","0.03","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 Cl4 N2 Ru -","- C15 H24 Cl4 N2 Ru -","- C30 H48 Cl8 N4 Ru2 -","2","1","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","","0.71073","MoKα","","0.034","0.0319","","","0.084","0.0856","","","","","","1.072","","","","has coordinates","304879","2026-03-05","12:24:39",""
"1576687","11.43884","0.00006","15.3631","0.00009","19.58592","0.0001","90","","90","","90","","3441.95","0.03","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Cl2 N2 Ru -","- C16 H26 Cl2 N2 Ru -","- C128 H208 Cl16 N16 Ru8 -","8","1","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","x-ray","1.54184","CuKα","","0.0189","0.0187","","","0.0461","0.0462","","","","","","1.101","","","","has coordinates","304879","2026-03-05","12:24:39",""
"1576688","10.69797","0.00014","9.17128","0.00011","22.3384","0.0003","90","","92.6898","0.0011","90","","2189.3","0.05","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 Cl2 N3 Ru -","- C20 H35 Cl2 N3 Ru -","- C80 H140 Cl8 N12 Ru4 -","4","1","","Righetti, Gianluca; Koidan, Georgyi; Filimonchuk, Sergiy L.; Shishkina, Svitlana; Kostyuk, Aleksandr; Albrecht, Martin","Ligand flexibility as a concept to unlock catalytic activity: acyclic carbenes for base-free transfer ruthenium hydrogenation catalysis.","Chemical science","2026","17","8","4325","4331","10.1039/d5sc08206d","","x-ray","0.71073","MoKα","","0.0202","0.0183","","","0.047","0.0477","","","","","","1.05","","","","has coordinates,has disorder","304879","2026-03-05","12:24:39",""
"1576699","7.346","0.0004","26.0025","0.0015","34.85","0.002","90","","90","","90","","6656.9","0.7","255","2","255","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 I N5 O8 S -","- C33 H30 I N5 O8 S -","- C264 H240 I8 N40 O64 S8 -","8","2","","Zhong, Yangyang; Zeng, Jie; Li, Mingwei; Liang, Yuli; Guan, Shuman; Zhao, Kehan; Mu, Jiayi; Tang, Pei; Wang, Huijing; Chen, Fener","Stereodivergent access to α- and β-azanucleosides <i>via</i> catalyst-free, achiral modulator-controlled iodocyclization: a concise synthesis of forodesine.","Chemical science","2026","17","8","4126","4136","10.1039/d5sc08431h","","","0.71073","MoKα","","0.0923","0.0437","","","0.0703","0.0849","","","","","","1.031","","","","has coordinates","304884","2026-03-05","12:26:38",""
"1576700","9.7647","0.0002","10.092","0.0002","15.3151","0.0003","107.239","0.0018","98.9646","0.0018","105.768","0.002","1340.54","0.05","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 Cl2 N O Ru Se -","- C28 H33 Cl2 N O Ru Se -","- C56 H66 Cl4 N2 O2 Ru2 Se2 -","2","1","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","1.54184","CuKα","","0.03","0.0276","","","0.0744","0.0756","","","","","","1.063","","","","has coordinates,has disorder","304885","2026-03-05","12:27:06",""
"1576701","8.3972","0.0004","11.7055","0.0005","12.11","0.0006","93.48","0.004","98.668","0.004","104.169","0.004","1135.01","0.1","139.99","0.1","139.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 I2 N3 Pt -","- C22 H21 I2 N3 Pt -","- C44 H42 I4 N6 Pt2 -","2","1","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","0.71073","MoKα","","0.0661","0.0329","","","0.0582","0.0651","","","","","","0.986","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576702","9.2044","0.0002","9.2044","0.0002","29.2718","0.0006","90","","90","","120","","2147.69","0.08","140","0.1","140","0.1","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C9 H10 I2 N2 Pt S -","- C9 H10 I2 N2 Pt S -","- C54 H60 I12 N12 Pt6 S6 -","6","0.5","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","0.71073","MoKα","","0.037","0.0282","","","0.0474","0.0488","","","","","","1.141","","","","has coordinates,has disorder","304885","2026-03-05","12:27:06",""
"1576703","6.92293","0.00016","28.2837","0.0004","16.3408","0.0002","90","","90","","90","","3199.63","0.1","139.99","0.1","139.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H9 Au I N O -","- C9 H9 Au I N O -","- C108 H108 Au12 I12 N12 O12 -","12","3","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","1.54184","CuKα","","0.0864","0.073","","","0.1661","0.1725","","","","","","1.136","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576704","15.0757","0.0005","12.3164","0.0002","18.0889","0.0007","90","","114.216","0.005","90","","3063.2","0.2","139.99","0.1","139.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Cl4 N2 Ru -","- C32 H34 Cl4 N2 Ru -","- C128 H136 Cl16 N8 Ru4 -","4","1","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","1.54184","CuKα","","0.0951","0.0673","","","0.1694","0.1899","","","","","","1.042","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576705","16.4314","0.0004","9.4384","0.0002","13.8055","0.0003","90","","94.094","0.002","90","","2135.58","0.08","140","0.1","140","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Au Br N S -","- C9 H9 Au Br N S -","- C72 H72 Au8 Br8 N8 S8 -","8","1","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","0.71073","MoKα","","0.0523","0.0297","","","0.0606","0.0656","","","","","","1.02","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576706","8.8706","0.0003","15.328","0.0007","19.83","0.001","90","","90.089","0.004","90","","2696.3","0.2","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 I2 N2 O Pt -","- C9 H10 I2 N2 O Pt -","- C72 H80 I16 N16 O8 Pt8 -","8","2","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","1.54184","CuKα","","0.1336","0.0985","","","0.2619","0.2986","","","","","","1.041","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576707","10.6281","0.0003","16.7383","0.0005","7.17","0.0003","90","","93.494","0.003","90","","1273.15","0.07","103","4","103","4","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Au I N2 -","- C11 H14 Au I N2 -","- C44 H56 Au4 I4 N8 -","4","0.5","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","1.54184","CuKα","","0.0422","0.0398","","","0.1056","0.1072","","","","","","1.057","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576708","9.75755","0.00016","10.13025","0.00018","15.2002","0.0003","107.338","0.0016","98.0674","0.0015","106.18","0.0015","1335.9","0.05","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 Cl2 N O Ru S -","- C28 H33 Cl2 N O Ru S -","- C56 H66 Cl4 N2 O2 Ru2 S2 -","2","1","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","0.71073","MoKα","","0.0374","0.0346","","","0.0949","0.0964","","","","","","1.054","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576709","9.25931","0.00007","9.25931","0.00007","30.8237","0.0004","90","","90","","120","","2288.61","0.04","139.99","0.1","139.99","0.1","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C10 H13 I2 N3 Pt -","- C10 H13 I2 N3 Pt -","- C60 H78 I12 N18 Pt6 -","6","0.5","","Romano-deGea, Jan; Sinenko, Irina L.; Pânzar, Peter M F; Neves Vieira, Adriana; Frederiksen, Lindsey E. K.; Glinkina, Kseniya; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Kuttler, Fabien; Lau, Kelvin; Dyson, Paul J.","Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.","Chemical science","2026","17","8","4296","4306","10.1039/d5sc05555e","","x-ray","0.71073","MoKα","","0.0335","0.0269","","","0.0441","0.045","","","","","","1.101","","","","has coordinates","304885","2026-03-05","12:27:06",""
"1576710","10.5011","0.0004","36.2781","0.0014","13.3571","0.0004","90","","91.845","0.001","90","","5085.9","0.3","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H67 Cl2 N3 Si2 -","- C54 H67 Cl2 N3 Si2 -","- C216 H268 Cl8 N12 Si8 -","4","1","","Lončarić, Doroteja; Kaletová, Eva; Varga, Katarina Majerová; Hurtado, Carina Santos; Mašát, Milan; Císařová, Ivana; Kaleta, Jiří","Cucurbit[7]uril as a universal anchor for photoswitchable monolayers on gold.","Chemical science","2026","17","8","3991","3997","10.1039/d5sc09469k","","","0.71073","MoKα","","0.0436","0.0388","","","0.1008","0.105","","","","","","1.029","","","","has coordinates","304635","2026-02-26","00:50:17",""
"1576711","12.2842","0.0004","16.8227","0.0005","34.6745","0.001","77.137","0.002","82.673","0.002","74.771","0.002","6722.3","0.4","120","2","120","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C37 H35 Cl3 N4 O -","- C37 H35 Cl3 N4 O -","- C296 H280 Cl24 N32 O8 -","8","4","","Lončarić, Doroteja; Kaletová, Eva; Varga, Katarina Majerová; Hurtado, Carina Santos; Mašát, Milan; Císařová, Ivana; Kaleta, Jiří","Cucurbit[7]uril as a universal anchor for photoswitchable monolayers on gold.","Chemical science","2026","17","8","3991","3997","10.1039/d5sc09469k","","","1.54178","CuKα","","0.0807","0.0714","","","0.1947","0.2036","","","","","","1.034","","","","has coordinates,has disorder","304635","2026-02-26","00:50:18",""
"1576712","16.558","0.0014","22.4207","0.0017","13.3943","0.0012","90","","94.097","0.003","90","","4959.8","0.7","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C103 H102 Br4 Cl6 N4 Ni2 -","- C103 H102 Br4 Cl6 N4 Ni2 -","- C206 H204 Br8 Cl12 N8 Ni4 -","2","0.5","","Liu, Fengbin; Gao, Qi; Zhao, Wenpeng; Wang, Xiaohua; Zhang, Xuequan; Liu, Heng","α-Diimine nickel-catalyzed propylene–diene copolymerization: towards a potential sulfur-crosslinked elastomeric alternative to EPDM","Polymer Chemistry","2026","17","13","1265","1277","10.1039/D6PY00021E","","","0.71073","MoKα","","0.1","0.0655","","","0.1782","0.2024","","","","","","1.046","","","","has coordinates","305449","2026-04-05","12:28:07",""
"1576716","13.8301","0.00004","23.24282","0.00006","23.96377","0.00007","90","","101.808","0.0003","90","","7540.16","0.04","150.01","0.14","150.01","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","028bec23","[Cu3(dppm_prime)3]","","- C82 H71 Cu3 P6 -","- C82 H71 Cu3 P6 -","- C328 H284 Cu12 P24 -","4","1","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.0266","0.0249","","","0.0984","0.1011","","","","","","0.916","","","","has coordinates","304721","2026-03-04","02:48:27",""
"1576717","12.6129","0.0003","13.151","0.0004","14.4377","0.0004","82.473","0.002","66.962","0.002","64.233","0.002","1982.48","0.11","150.01","0.17","150.01","0.17","","","","","","","","7","P -1","-P 1","2","021bec22","[Cu2(dppm'')2{Zn(C6F5)2}2]","","- C88 H54 Cu2 F20 O4 P4 Zn2 -","- C88 H54 Cu2 F20 O4 P4 Zn2 -","- C88 H54 Cu2 F20 O4 P4 Zn2 -","1","0.5","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.0288","0.0275","","","0.1015","0.1046","","","","","","0.93","","","","has coordinates","304721","2026-03-04","02:48:27",""
"1576718","13.9446","0.0001","18.9372","0.0001","15.5207","0.0001","90","","99.426","0.001","90","","4043.24","0.05","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","026bec23","trans-[Cu2(dppm')2{Zn(C6F5)2}2]","","- C92 H60 Cu2 F20 P4 Zn2 -","- C92 H60 Cu2 F20 P4 Zn2 -","- C184 H120 Cu4 F40 P8 Zn4 -","2","0.5","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.026","0.0233","","","0.0923","0.0969","","","","","","0.875","","","","has coordinates,has disorder","304721","2026-03-04","02:48:27",""
"1576719","16.7872","0.0002","15.1283","0.0002","32.1498","0.0004","90","","90.653","0.001","90","","8164.29","0.18","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","019bec22","cis-[Cu2(dppm')2{Zn(C6F5)2}2]","","- C86 H54 Cu2 F20 P4 Zn2 -","- C86 H54 Cu2 F20 P4 Zn2 -","- C344 H216 Cu8 F80 P16 Zn8 -","4","0.5","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.0294","0.026","","","0.0947","0.1007","","","","","","0.884","","","","has coordinates,has disorder","304721","2026-03-04","02:48:27",""
"1576720","10.8464","0.0002","41.8005","0.0006","17.7632","0.0002","90","","94.963","0.001","90","","8023.4","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","027bec23","[Cu3(k1-O2CH)(k2:u2-O2CH)(dppm)3]","","- C83 H74 Cu3 O4 P6 -","- C83 H74 Cu3 O4 P6 -","- C332 H296 Cu12 O16 P24 -","4","1","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.0562","0.048","","","0.1446","0.1517","","","","","","1.091","","","","has coordinates,has disorder","304721","2026-03-04","02:48:27",""
"1576721","15.8877","0.0002","14.8052","0.0002","44.2531","0.0006","90","","97.051","0.0014","90","","10330.5","0.2","150.01","0.13","150.01","0.13","","","","","","","","4","P 1 n 1","P -2yac","7","012bec21-bec","[Cu5(u-H)(u3-H)2(dppm')2(dppm)2]","","- C118 H107 Cu5 P8 -","- C118 H107 Cu5 P8 -","- C472 H428 Cu20 P32 -","4","2","","Cowie, Bradley E.; Phanopoulos, Andreas; Shaffer, Milo S. P.; Williams, Charlotte K.","Structural and reactivity investigations using organo-copper(i) and zinc(ii) complexes with hydrogen and carbon dioxide.","Chemical science","2026","17","1","564","578","10.1039/d5sc05666g","","x-ray","1.54184","CuKα","","0.0524","0.0434","","","0.09","0.0954","","","","","","1.006","","","","has coordinates,has disorder","304721","2026-03-04","02:48:27",""
"1576722","10.5049","0.0009","13.561","0.0011","13.6443","0.0011","87.086","0.005","87.639","0.006","81.043","0.006","1916.4","0.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 F18 N2 O2 W -","- C34 H40 F18 N2 O2 W -","- C68 H80 F36 N4 O4 W2 -","2","1","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","1.54178","CuKα","","0.0791","0.0665","","","0.1687","0.1793","","","","","","1.094","","","","has coordinates","304722","2026-03-04","02:49:33",""
"1576723","20.517","0.002","11.7363","0.0013","11.8494","0.0011","90","","96.648","0.005","90","","2834.1","0.5","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H23 F18 N O2 W -","- C23 H23 F18 N O2 W -","- C92 H92 F72 N4 O8 W4 -","4","1","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","1.54184","CuKα","","0.022","0.0215","","","0.051","0.0514","","","","","","1.033","","","","has coordinates,has disorder","304722","2026-03-04","02:49:34",""
"1576724","11.223","0.009","12.684","0.01","16.267","0.013","77.46","0.02","76.31","0.04","70.79","0.02","2100","3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 F9 N3 O W -","- C40 H52 F9 N3 O W -","- C80 H104 F18 N6 O2 W2 -","2","1","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","0.71073","MoKα","","0.063","0.0506","","","0.1319","0.1462","","","","","","1.077","","","","has coordinates","304722","2026-03-04","02:49:34",""
"1576725","13.3829","0.0009","18.8032","0.0013","22.2737","0.0015","90","","106.681","0.0019","90","","5369.1","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 N2 W -","- C28 H44 N2 W -","- C224 H352 N16 W8 -","8","2","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","1.54178","CuKα","","0.0217","0.0217","","","0.0529","0.0529","","","","","","1.285","","","","has coordinates","304722","2026-03-04","02:49:34",""
"1576726","10.284","0.0004","18.2199","0.0007","30.9881","0.0012","90","","90","","90","","5806.3","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H25 F18 N O2 W -","- C24 H25 F18 N O2 W -","- C192 H200 F144 N8 O16 W8 -","8","1","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","1.54178","CuKα","","0.0335","0.0331","","","0.0795","0.0797","","","","","","1.051","","","","has coordinates,has disorder","304722","2026-03-04","02:49:34",""
"1576727","20.8163","0.0006","13.796","0.0004","39.1164","0.0011","90","","90","","90","","11233.5","0.6","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H73 F9 N5 O1.5 W2 -","- C58 H73 F9 N5 O1.5 W2 -","- C464 H584 F72 N40 O12 W16 -","8","2","","Maji, Milan; Zeng, Landley; Schrock, Richard R.; Conley, Matthew P.; Carta, Veronica","Formation of tungsten ethylidene complexes from diethyl complexes through a proton-catalyzed rearrangement of ethylene.","Chemical science","2026","17","1","421","429","10.1039/d5sc07302b","","","1.54178","CuKα","","0.0535","0.0493","","","0.1194","0.1219","","","","","","1.132","","","","has coordinates,has disorder","304722","2026-03-04","02:49:34",""
"1576728","9.314","0.002","24.125","0.006","11.578","0.003","90","","92.692","0.006","90","","2598.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Cl N O -","- C34 H22 Cl N O -","- C136 H88 Cl4 N4 O4 -","4","1","","Kunhiraman, Anusree A.; Patra, Koushik; Kumar Choutipalli, Venkata Surya; Godara, Manjeet; Shuford, Kevin L.; Baidya, Mahiuddin","Unlocking radical reactivity of cyclic diaryl λ<sup>3</sup>-chloranes through NHC-catalyzed three-component coupling.","Chemical science","2026","17","8","4277","4284","10.1039/d5sc09326k","","","0.71073","MoKα","","0.1665","0.0756","","","0.1537","0.1824","","","","","","1.07","","","","has coordinates,has disorder","304723","2026-03-04","02:50:19",""
"1576729","9.8017","0.001","10.1659","0.0009","11.4676","0.0012","81.365","0.003","84.82","0.004","86.723","0.003","1124","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Br Cl O -","- C28 H20 Br Cl O -","- C56 H40 Br2 Cl2 O2 -","2","1","","Kunhiraman, Anusree A.; Patra, Koushik; Kumar Choutipalli, Venkata Surya; Godara, Manjeet; Shuford, Kevin L.; Baidya, Mahiuddin","Unlocking radical reactivity of cyclic diaryl λ<sup>3</sup>-chloranes through NHC-catalyzed three-component coupling.","Chemical science","2026","17","8","4277","4284","10.1039/d5sc09326k","","","0.71073","MoKα","","0.0654","0.043","","","0.1071","0.1198","","","","","","1.097","","","","has coordinates,has disorder","304723","2026-03-04","02:50:19",""
"1576730","7.06","0.0002","11.8513","0.0004","26.174","0.0008","90","","90","","90","","2189.98","0.12","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N O7 P -","- C22 H24 N O7 P -","- C88 H96 N4 O28 P4 -","4","1","","Clarkson, Aidan J.; Alley, Kimberly A.; Werley, Bryn K.; Robins, Jacob G.; Liu, Shubin; Johnson, Jeffrey S.","Catalytic asymmetric P<sup>(III)</sup>-additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols.","Chemical science","2026","17","5","2837","2846","10.1039/d5sc08571c","","","1.54178","CuKα","","0.065","0.054","","0.1479","0.1404","0.1479","","","","","","1.0011","","","","has coordinates","304724","2026-03-04","02:52:56",""
"1576731","9.0691","0.0005","26.0181","0.0012","11.561","0.0006","90","","111.924","0.003","90","","2530.7","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Br N O9 P -","- C24 H29 Br N O9 P -","- C96 H116 Br4 N4 O36 P4 -","4","1","","Clarkson, Aidan J.; Alley, Kimberly A.; Werley, Bryn K.; Robins, Jacob G.; Liu, Shubin; Johnson, Jeffrey S.","Catalytic asymmetric P<sup>(III)</sup>-additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols.","Chemical science","2026","17","5","2837","2846","10.1039/d5sc08571c","","","1.54178","CuKα","","0.0518","0.0407","","0.1056","0.1002","0.1056","","","","","","0.9862","","","","has coordinates,has disorder","304724","2026-03-04","02:52:56",""
"1576732","10.8594","0.0005","8.1479","0.0004","21.4301","0.0008","90","","90.222","0.001","90","","1896.15","0.15","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H26 Br4 Cl2 Cu N2 O6 -","- C38 H26 Br4 Cl2 Cu N2 O6 -","- C76 H52 Br8 Cl4 Cu2 N4 O12 -","2","1","","Clarkson, Aidan J.; Alley, Kimberly A.; Werley, Bryn K.; Robins, Jacob G.; Liu, Shubin; Johnson, Jeffrey S.","Catalytic asymmetric P<sup>(III)</sup>-additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols.","Chemical science","2026","17","5","2837","2846","10.1039/d5sc08571c","","","0.71073","MoKα","","0.0621","0.0527","","0.1495","0.1415","0.1495","","","","","","0.997","","","","has coordinates,has disorder","304724","2026-03-04","02:52:56",""
"1576733","11.8702","0.0002","6.4382","0.0001","15.7216","0.0002","90","","100.479","0.001","90","","1181.45","0.03","100","0.8","100","0.8","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 F3 O2 S -","- C28 H25 F3 O2 S -","- C56 H50 F6 O4 S2 -","2","1","","Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min","Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols.","Chemical science","2026","17","5","2802","2810","10.1039/d5sc06981e","","x-ray","1.54184","CuKα","","0.034","0.0318","","","0.0811","0.0821","","","","","","1.051","","","","has coordinates","304725","2026-03-04","02:53:54",""
"1576734","8.6591","0.0003","12.8618","0.0003","15.7626","0.0004","90","","90","","90","","1755.51","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F3 O2 S -","- C19 H15 F3 O2 S -","- C76 H60 F12 O8 S4 -","4","1","","Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min","Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols.","Chemical science","2026","17","5","2802","2810","10.1039/d5sc06981e","","x-ray","1.54184","CuKα","","0.0564","0.0392","","","0.0981","0.1099","","","","","","1.054","","","","has coordinates","304725","2026-03-04","02:53:54",""
"1576735","7.01707","0.00012","9.66742","0.00017","27.4191","0.0005","90","","90","","90","","1860.03","0.06","99.8","0.9","99.8","0.9","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br F3 O S -","- C20 H16 Br F3 O S -","- C80 H64 Br4 F12 O4 S4 -","4","1","","Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min","Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols.","Chemical science","2026","17","5","2802","2810","10.1039/d5sc06981e","","x-ray","1.54184","CuKα","","0.0249","0.0231","","","0.052","0.0532","","","","","","1.088","","","","has coordinates","304725","2026-03-04","02:53:54",""
"1576736","17.8548","0.0006","8.0071","0.0003","25.9391","0.001","90","","90","","90","","3708.4","0.2","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Br F3 N0 O S -","- C20 H16 Br F3 O S -","- C160 H128 Br8 F24 O8 S8 -","8","1","","Wei, Zheng-Wei; Cai, Qing-Yun; Yang, Li-Miao; Huo, Yu-Xuan; Li, Ze-Long; Gong, Xue-Qing; Chen, Zhi-Min","Chiral Lewis base/Lewis acid/Brønsted acid cooperative catalysis enabled regio- and enantioselective electrophilic sulfenylation/semipinacol rearrangement of allenols.","Chemical science","2026","17","5","2802","2810","10.1039/d5sc06981e","","x-ray","1.54178","CuKα","","0.0669","0.0586","","","0.1935","0.203","","","","","","1.049","","","","has coordinates","304725","2026-03-04","02:53:54",""
"1576737","6.3463","0.0001","16.7092","0.0004","36.0686","0.001","90","","90","","90","","3824.77","0.15","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H43 N3 O2 -","- C50 H43 N3 O2 -","- C200 H172 N12 O8 -","4","1","","Wang, Dongmei; Chen, Xiao; Lin, Yuting; Wu, Lulu; Zhao, Zhichen; Xu, Xu; Yang, Shilong; Zhang, Jianyu; Wang, Wen-Jin; Zhao, Zheng; Wang, Shifa; Tang, Ben Zhong; Cai, Xu-Min","From nature-inspired electron acceptors to BioAIE materials with polarity- and polymorphism-dependence for anti-counterfeiting.","Chemical science","2026","17","5","2847","2857","10.1039/d5sc09027j","","x-ray","1.54184","CuKα","","0.0678","0.0496","","","0.1179","0.1294","","","","","","1.006","","","","has coordinates","304726","2026-03-04","02:54:50",""
"1576738","6.3435","0.0001","16.7303","0.0003","36.0895","0.0007","90","","90","","90","","3830.13","0.12","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H43 N3 O2 -","- C50 H43 N3 O2 -","- C200 H172 N12 O8 -","4","1","","Wang, Dongmei; Chen, Xiao; Lin, Yuting; Wu, Lulu; Zhao, Zhichen; Xu, Xu; Yang, Shilong; Zhang, Jianyu; Wang, Wen-Jin; Zhao, Zheng; Wang, Shifa; Tang, Ben Zhong; Cai, Xu-Min","From nature-inspired electron acceptors to BioAIE materials with polarity- and polymorphism-dependence for anti-counterfeiting.","Chemical science","2026","17","5","2847","2857","10.1039/d5sc09027j","","x-ray","1.54184","CuKα","","0.0563","0.045","","","0.1117","0.1201","","","","","","1.025","","","","has coordinates","304726","2026-03-04","02:54:50",""
"1576739","11.0022","0.0004","15.0039","0.0005","23.1511","0.0008","90","","93.337","0.002","90","","3815.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 Cu F6 N6 P -","- C39 H48 Cu F6 N6 P -","- C156 H192 Cu4 F24 N24 P4 -","4","1","","Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh","Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers.","Chemical science","2026","17","4","2087","2101","10.1039/d5sc08379f","","","0.71073","MoKα","","0.0376","0.03","","","0.0701","0.0753","","","","","","1.023","","","","has coordinates,has disorder","304727","2026-03-04","02:57:11",""
"1576740","8.3559","0.0004","11.2732","0.0006","19.0233","0.0008","90.952","0.002","94.577","0.002","95.28","0.002","1778.14","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","[Cu(IMesC^N^C)(PA)]","","- C82 H82 Cu2 N12 -","- C82 H82 Cu2 N12 -","- C82 H82 Cu2 N12 -","1","0.5","","Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh","Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers.","Chemical science","2026","17","4","2087","2101","10.1039/d5sc08379f","","","0.71073","MoKα","","0.0609","0.0403","","","0.0895","0.0985","","","","","","1.024","","","","has coordinates,has disorder","304727","2026-03-04","02:57:11",""
"1576741","8.9525","0.0005","12.2544","0.0008","14.4861","0.0007","78.93","0.002","83.833","0.002","83.018","0.002","1542.32","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Cu F6 N5 P -","- C31 H33 Cu F6 N5 P -","- C62 H66 Cu2 F12 N10 P2 -","2","1","","Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh","Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers.","Chemical science","2026","17","4","2087","2101","10.1039/d5sc08379f","","","0.71073","MoKα","","0.0442","0.0345","","","0.0788","0.0845","","","","","","1.031","","","","has coordinates","304727","2026-03-04","02:57:11",""
"1576742","9.1454","0.0008","11.536","0.0011","14.1953","0.0015","69.605","0.003","74.381","0.003","80.865","0.003","1348.4","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H32 Cu N5 -","- C31 H32 Cu N5 -","- C62 H64 Cu2 N10 -","2","1","","Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh","Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers.","Chemical science","2026","17","4","2087","2101","10.1039/d5sc08379f","","","0.71073","MoKα","","0.0931","0.0774","","","0.1825","0.1892","","","","","","1.313","","","","has coordinates,has disorder","304727","2026-03-04","02:57:11",""
"1576743","10.6182","0.0002","10.6182","0.0002","43.2847","0.0014","90","","90","","120","","4226.36","0.18","100","","100","","","","","","","","","4","P 31","P 31","144","","","","- C19 H24 Cu N5 -","- C19 H24 Cu N5 -","- C171 H216 Cu9 N45 -","9","3","","Back, Nick; Guthrie, Emylie; Zhu, Chengxu; de Visser, Sam P.; Tahsini, Laleh","Metal ligand cooperativity in the direct carboxylation and esterification of terminal alkynes by Cu-CNC complexes bearing 2,6-lutidine linkers.","Chemical science","2026","17","4","2087","2101","10.1039/d5sc08379f","","","0.71073","MoKα","","0.0619","0.0527","","","0.1082","0.114","","","","","","1.067","","","","has coordinates,has disorder","304727","2026-03-04","02:57:11",""
"1576744","6.6124","0.0002","6.0702","0.0002","14.6218","0.0005","90","","101.223","0.003","90","","575.68","0.03","272.7","0.3","272.7","0.3","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 -","- C16 H10 -","- C32 H20 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0441","0.0372","","","0.1038","0.11","","","","","","1.092","","","","has coordinates","304728","2026-03-04","03:03:34",""
"1576745","7.9679","0.0014","9.1231","0.0015","9.592","0.002","94.674","0.016","108.09","0.018","98.755","0.014","648.9","0.2","275","2","275","2","","","","","","","","2","P -1","-P 1","2","","","","- C18 H14 -","- C18 H14 -","- C36 H28 -","2","1","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0878","0.0589","","","0.1936","0.2258","","","","","","1.027","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576746","18.027","0.002","6.0037","0.0007","7.4853","0.001","90","","100.955","0.012","90","","795.36","0.17","222.99","0.1","222.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 -","- C24 H14 -","- C48 H28 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.1356","0.1194","","","0.3362","0.344","","","","","","1.052","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576747","5.7176","0.0003","8.1893","0.0005","16.8245","0.001","102.49","0.005","90.921","0.004","91.588","0.004","768.64","0.08","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 F6 O2 -","- C18 H8 F6 O2 -","- C36 H16 F12 O4 -","2","1","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0932","0.0608","","","0.158","0.1853","","","","","","1.013","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576748","28.1055","0.0009","6.0041","0.00018","8.0558","0.0002","90","","91.627","0.003","90","","1358.85","0.07","299.35","0.1","299.35","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 -","- C18 H14 -","- C72 H56 -","4","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0455","0.0394","","","0.1201","0.1255","","","","","","1.082","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576749","3.8729","0.0001","5.8479","0.0002","25.1558","0.0007","90","","91.054","0.003","90","","569.64","0.03","252.99","0.1","252.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F2 -","- C16 H8 F2 -","- C32 H16 F4 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0451","0.0411","","","0.1103","0.1137","","","","","","1.094","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576750","23.9619","0.0015","7.9649","0.0005","9.2096","0.0005","90","","90","","90","","1757.69","0.18","410","0.1","410","0.1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C10 H20 Cl4 Cu F4 N2 -","- C10 H20 Cl4 Cu F4 N2 -","- C40 H80 Cl16 Cu4 F16 N8 -","4","0.25","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","0.71073","MoKα","","0.1111","0.108","","","0.2562","0.2573","","","","","","1.007","","","","has coordinates,has disorder","304728","2026-03-04","03:03:35",""
"1576751","3.9499","0.0007","24.878","0.004","6.5419","0.0015","90","","92.301","0.017","90","","642.3","0.2","299.66","0.1","299.66","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 Cl2 -","- C16 H8 Cl2 -","- C32 H16 Cl4 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0652","0.0474","","","0.142","0.1563","","","","","","1.168","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576752","7.7","0.0003","12.7133","0.001","12.8164","0.0005","67.196","0.005","86.035","0.003","78.018","0.005","1131.27","0.12","299.74","0.1","299.74","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H8 F6 -","- C18 H8 F6 -","- C54 H24 F18 -","3","1.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.1003","0.0731","","","0.2235","0.2506","","","","","","1.089","","","","has coordinates,has disorder","304728","2026-03-04","03:03:35",""
"1576753","3.9352","0.0001","5.8927","0.0002","25.1923","0.0008","90","","91.318","0.003","90","","584.03","0.03","353","0.1","353","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F2 -","- C16 H8 F2 -","- C32 H16 F4 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0491","0.0441","","","0.1269","0.1317","","","","","","1.1062","","","","has coordinates","304728","2026-03-04","03:03:35",""
"1576754","15.4811","0.0003","17.3094","0.0004","7.75492","0.00017","90","","92.902","0.002","90","","2075.41","0.08","299.15","0.1","299.15","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 -","- C18 H14 -","- C108 H84 -","6","1.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0621","0.0438","","","0.1308","0.1445","","","","","","1.041","","","","has coordinates","304728","2026-03-04","03:03:36",""
"1576755","4.4784","0.0019","5.3235","0.0015","16.34","0.003","86.417","0.018","86.14","0.02","88.66","0.03","387.8","0.2","193","0.1","193","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 F6 O2 -","- C18 H8 F6 O2 -","- C18 H8 F6 O2 -","1","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.1467","0.0847","","","0.2095","0.2709","","","","","","1.03","","","","has coordinates,has disorder","304728","2026-03-04","03:03:36",""
"1576756","12.5044","0.0003","9.9663","0.0003","15.9532","0.0004","90","","93.953","0.002","90","","1983.4","0.09","270","2","270","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 -","- C24 H26 -","- C96 H104 -","4","1","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.081","0.06","","","0.175","0.1983","","","","","","1.043","","","","has coordinates,has disorder","304728","2026-03-04","03:03:36",""
"1576757","6.9786","0.0002","15.6479","0.001","15.8333","0.0007","106.824","0.005","91.106","0.003","90.882","0.003","1654.29","0.14","299.95","0.1","299.95","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 F6 O2 -","- C18 H8 F6 O2 -","- C72 H32 F24 O8 -","4","2","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.1711","0.1311","","","0.2949","0.3185","","","","","","1.067","","","","has coordinates","304728","2026-03-04","03:03:36",""
"1576758","18.0232","0.0014","6.0194","0.0004","7.5591","0.0006","90","","101.211","0.007","90","","804.43","0.11","300","0.1","300","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 -","- C24 H14 -","- C48 H28 -","2","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","1.54184","CuKα","","0.0984","0.0889","","","0.2602","0.2671","","","","","","1.013","","","","has coordinates","304728","2026-03-04","03:03:36",""
"1576759","23.8905","0.0004","7.8128","0.0002","9.2079","0.0002","90","","90","","90","","1718.67","0.06","300","4","300","4","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H20 Cl4 Cu F4 N2 -","- C10 H20 Cl4 Cu F4 N2 -","- C40 H80 Cl16 Cu4 F16 N8 -","4","0.5","","Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang","Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.","Chemical science","2026","17","3","1792","1800","10.1039/d5sc07784b","","x-ray","0.71073","MoKα","","0.0163","0.0159","","","0.0412","0.0415","","","","","","1.09","","","","has coordinates","304728","2026-03-04","03:03:36",""
"1576766","10.8524","0.0006","11.6698","0.0006","11.0084","0.0006","90","","107.253","0.002","90","","1331.43","0.12","10","","10","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 Cl Cu N2 -","- C11 H20 Cl Cu N2 -","- C44 H80 Cl4 Cu4 N8 -","4","0.5","","Yan, Connly; Chang, Tieyan; Chen, Yu-Sheng; Paterson, Alexander L.; McElheny, Dan; Mankad, Neal P.","Hidden in plain sight: commonly used copper N-heterocyclic carbene catalysts gain stabilization from anagostic Cu⋯H-C interactions.","Chemical science","2026","17","9","4734","4743","10.1039/d5sc09643j","","","0.39995","synchrotron","","0.0352","0.0289","","","0.0746","0.0808","","","","","","0.9694","","","","has coordinates","304810","2026-03-05","00:50:10",""
"1576767","9.8677","0.0007","10.1558","0.0007","10.8302","0.0007","112.405","0.006","101.117","0.006","92.787","0.006","975.62","0.13","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C48 H48 O6 -","2","1","","Liu, Shuili; Liu, Xingji; Gu, Xiu; Dong, Shicheng; Huang, Nan; Shi, Lei; Jiang, Jun","Pyrene-based conjugated porous polymers as photocatalysts for oxidative cycloaddition of phenols.","Chemical science","2026","17","9","4669","4677","10.1039/d5sc08900j","","","1.54178","CuKα","","0.0739","0.0654","","","0.1675","0.1797","","","","","","1.053","","","","has coordinates","304811","2026-03-05","00:50:32",""
"1576768","10.759","0.0002","15.6784","0.0003","20.0594","0.0004","90","","90","","90","","3383.7","0.11","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 S2 -","- C21 H16 S2 -","- C168 H128 S16 -","8","1","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","x-ray","1.54184","CuKα","","0.0626","0.057","","","0.1651","0.1711","","","","","","1.1","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576769","7.8957","0.0004","16.3997","0.0007","24.1206","0.001","90","","90","","90","","3123.3","0.2","273.15","","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H12 O2 S2 -","- C20 H12 O2 S2 -","- C160 H96 O16 S16 -","8","1","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","","1.54178","CuKα","","0.0567","0.0503","","","0.1414","0.1449","","","","","","1.081","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576770","5.2323","0.0002","8.9668","0.0004","29.1269","0.001","90","","90","","90","","1366.55","0.09","293","2","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","1","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","x-ray","1.54184","CuKα","","0.052","0.0487","","","0.13","0.1341","","","","","","1.033","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576771","7.9692","0.0003","9.1737","0.0003","11.3045","0.0004","97.109","0.002","101.458","0.002","95.919","0.002","796.78","0.05","297","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H24 S4 -","- C44 H24 S4 -","- C44 H24 S4 -","1","0.5","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","","1.54184","CuKα","","0.0621","0.0505","","","0.1403","0.1465","","","","","","1.033","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576772","4.7483","0.0002","15.0591","0.0005","20.181","0.0007","90","","90","","90","","1443.04","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H12 S -","- C22 H12 S -","- C88 H48 S4 -","4","1","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","","1.54178","CuKα","","0.0525","0.0441","","","0.1128","0.1173","","","","","","1.019","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576773","9.7309","0.0003","11.2753","0.0006","14.8333","0.0003","106.545","0.004","90.845","0.002","103.498","0.004","1511.25","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H12 S2 -","- C20 H12 S2 -","- C80 H48 S8 -","4","2","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","x-ray","1.54184","CuKα","","0.1036","0.0993","","","0.2737","0.2849","","","","","","1.27","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576774","8.0232","0.0001","16.8258","0.0003","25.0537","0.0004","90","","90","","90","","3382.17","0.09","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H12 O4 S2 -","- C20 H12 O4 S2 -","- C160 H96 O32 S16 -","8","1","","He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong","Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.","Chemical science","2026","17","9","4594","4600","10.1039/d5sc08209a","","x-ray","1.54184","CuKα","","0.0703","0.0655","","","0.1826","0.1864","","","","","","1.101","","","","has coordinates","304812","2026-03-05","00:51:28",""
"1576791","10.4962","0.0001","16.7168","0.0002","14.4309","0.0001","90","","90.026","0.001","90","","2532.09","0.04","200","0.1","200","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C35 H54 F6 N4 O9 P2 S2 -","- C35 H54 F6 N4 O9 P2 S2 -","- C70 H108 F12 N8 O18 P4 S4 -","2","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0515","0.047","","","0.132","0.1394","","","","","","1.033","","","","has coordinates,has disorder","304818","2026-03-05","00:56:42",""
"1576792","13.7455","0.0003","13.7455","0.0003","48.9066","0.001","90","","90","","120","","8002.4","0.3","99.98","0.1","99.98","0.1","","","","","","","","7","P 65","P 65","170","","","","- C44 H63 F6 N7 O11 P2 S2 -","- C44 H63 F6 N7 O11 P2 S2 -","- C264 H378 F36 N42 O66 P12 S12 -","6","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0748","0.0613","","","0.1556","0.1664","","","","","","1.047","","","","has coordinates,has disorder","304818","2026-03-05","00:56:42",""
"1576793","10.2822","0.0003","13.2602","0.0004","17.8827","0.0005","94.291","0.002","97.156","0.003","90.21","0.003","2412.22","0.12","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H53 F6 N7 O6 P2 S2 -","- C42 H53 F6 N7 O6 P2 S2 -","- C84 H106 F12 N14 O12 P4 S4 -","2","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0514","0.0454","","","0.1205","0.126","","","","","","1.019","","","","has coordinates,has disorder","304818","2026-03-05","00:56:42",""
"1576794","33.48865","0.00011","18.15171","0.00006","22.02616","0.00006","90","","92.3847","0.0003","90","","13377.6","0.07","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 F16 N4 O6 P2 S2 -","- C38 H42 F16 N4 O6 P2 S2 -","- C456 H504 F192 N48 O72 P24 S24 -","12","3","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0381","0.0334","","","0.0859","0.0894","","","","","","1.016","","","","has coordinates,has disorder","304818","2026-03-05","00:56:42",""
"1576795","9.5421","0.0001","20.016","0.0002","11.7739","0.0002","90","","100.886","0.001","90","","2208.29","0.05","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 F3 N2 O3 P S -","- C17 H30 F3 N2 O3 P S -","- C68 H120 F12 N8 O12 P4 S4 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0501","0.0457","","","0.1156","0.1181","","","","","","1.091","","","","has coordinates","304818","2026-03-05","00:56:43",""
"1576796","14.8279","0.0001","15.676","0.0001","26.6476","0.0002","90","","99.586","0.001","90","","6107.54","0.08","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H66 F15 N6 O9 P3 S3 -","- C49.006 H66.005 F15.001 N6 O9 P3 S3 -","- C196.024 H264.02 F60.004 N24 O36 P12 S12 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0654","0.0575","","","0.1668","0.1766","","","","","","1.038","","","","has coordinates,has disorder","304818","2026-03-05","00:56:43",""
"1576797","18.3115","0.0002","12.4673","0.0002","19.7589","0.0003","90","","102.704","0.001","90","","4400.43","0.11","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Br F8 N4 O6 P2 S2 -","- C37 H49 Br F8 N4 O6 P2 S2 -","- C148 H196 Br4 F32 N16 O24 P8 S8 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0294","0.0271","","","0.0683","0.0698","","","","","","1.028","","","","has coordinates","304818","2026-03-05","00:56:43",""
"1576798","10.9428","0.0001","14.6785","0.0001","14.0224","0.0002","90","","97.491","0.001","90","","2233.11","0.04","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 F16 N4 O6 P2 S2 -","- C38 H42 F16 N4 O6 P2 S2 -","- C76 H84 F32 N8 O12 P4 S4 -","2","0.5","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0418","0.0386","","","0.1037","0.1071","","","","","","1.04","","","","has coordinates,has disorder","304818","2026-03-05","00:56:43",""
"1576799","25.0983","0.0007","9.1242","0.0002","20.5645","0.0004","90","","109.348","0.002","90","","4443.35","0.19","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 F6 N6 O6 P2 S2 -","- C40 H50 F6 N6 O6 P2 S2 -","- C160 H200 F24 N24 O24 P8 S8 -","4","0.5","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0545","0.0415","","","0.1056","0.1148","","","","","","1.022","","","","has coordinates","304818","2026-03-05","00:56:43",""
"1576800","10.5851","0.0001","18.8359","0.0002","17.7309","0.0001","90","","94.902","0.001","90","","3522.25","0.05","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H53 F3 N2 O6 P2 S -","- C30 H53 F3 N2 O6 P2 S -","- C120 H212 F12 N8 O24 P8 S4 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0459","0.0431","","","0.116","0.1189","","","","","","1.028","","","","has coordinates","304818","2026-03-05","00:56:43",""
"1576801","21.549","0.0002","8.4698","0.0001","15.2411","0.0001","90","","90","","90","","2781.74","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H35 F3 N3 O5 P S -","- C25 H35 F3 N3 O5 P S -","- C100 H140 F12 N12 O20 P4 S4 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0279","0.0275","","","0.0737","0.0741","","","","","","1.05","","","","has coordinates","304818","2026-03-05","00:56:43",""
"1576802","10.9283","0.0004","14.6147","0.0003","16.8837","0.0006","90","","95.322","0.004","90","","2684.94","0.15","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 F3 N3 O5 P S -","- C25 H33 F3 N3 O5 P S -","- C100 H132 F12 N12 O20 P4 S4 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0861","0.0712","","","0.1887","0.1999","","","","","","1.072","","","","has coordinates","304818","2026-03-05","00:56:43",""
"1576803","13.68062","0.00004","13.68062","0.00004","22.05367","0.00011","90","","90","","90","","4127.55","0.03","100","0.1","100","0.1","","","","","","","","7","P 41","P 4w","76","","","","- C31 H41 F11 N4 O6 P2 S2 -","- C31 H41 F11 N4 O6 P2 S2 -","- C124 H164 F44 N16 O24 P8 S8 -","4","1","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0276","0.0273","","","0.071","0.0712","","","","","","1.033","","","","has coordinates,has disorder","304818","2026-03-05","00:56:43",""
"1576804","9.6269","0.0006","26.2948","0.0018","18.146","0.0013","90","","92.044","0.006","90","","4590.5","0.5","99.94","0.13","99.94","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F8 N2 O3 P S -","- C19 H21 F8 N2 O3 P S -","- C152 H168 F64 N16 O24 P8 S8 -","8","2","","Royla, Philipp; Schwedtmann, Kai; Gomila, Rosa M.; Frontera, Antonio; Weigand, Jan J.","Chemoselectivity in the cationic Phospha-Wittig reaction: accessing phosphorus heterocycles, phosphaalkenes, and their annulated [4 + 2] dimers.","Chemical science","2025","17","9","4678","4687","10.1039/d5sc08693k","","x-ray","1.54184","CuKα","","0.0989","0.0708","","","0.1626","0.1788","","","","","","1.015","","","","has coordinates,has disorder","304818","2026-03-05","00:56:43",""
"1576805","21.189","0.004","22.633","0.003","23.227","0.004","62.872","0.01","77.08","0.03","69.898","0.014","9280","3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C97.5 H234 N48 O86 Pd6 -","- C97.5 H165 N48 O51.5 Pd6 -","- C195 H330 N96 O103 Pd12 -","2","2","","Maitra, Pranay Kumar; Rinshad, Valiyakath Abdul; Hickey, Neal; Mukherjee, Partha Sarathi","Selective photocatalytic oxidative cleavage of terminal alkynes to carboxylic acids within a water-soluble Pd<sub>6</sub> nanocage.","Chemical science","2026","17","9","4487","4495","10.1039/d5sc08202a","","","0.7","synchrotron","","0.1573","0.0682","","","0.1584","0.185","","","","","","0.947","","","","has coordinates,has disorder","304819","2026-03-05","00:57:31",""
"1576806","11.0634","0.0004","18.5248","0.0007","16.7331","0.0007","90","","103.568","0.002","90","","3333.7","0.2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N3 Na O S Si2 -","- C30 H38 N3 Na O S Si2 -","- C120 H152 N12 Na4 O4 S4 Si8 -","4","1","","Mrózek, Ondřej; Heil, Tabea; Hanzl, Lukáš; Belyaev, Andrey; Sen, Indranil; Pilch, Patrick; Wang, Zhe; Steffen, Andreas","Sodium-based donor-acceptor assemblies featuring thermally activated delayed fluorescence enabled by highly efficient through-space charge transfer.","Chemical science","2026","17","9","4803","4813","10.1039/d5sc08432f","","","0.71073","MoKα","","0.0505","0.0453","","","0.1302","0.1353","","","","","","1.049","","","","has coordinates,has disorder","305335","2026-04-05","11:53:12",""
"1576807","14.9815","0.0003","13.403","0.0003","20.4053","0.0004","90","","92.804","0.001","90","","4092.42","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 N6 Na S Si2 -","- C38 H35 N6 Na S Si2 -","- C152 H140 N24 Na4 S4 Si8 -","4","1","","Mrózek, Ondřej; Heil, Tabea; Hanzl, Lukáš; Belyaev, Andrey; Sen, Indranil; Pilch, Patrick; Wang, Zhe; Steffen, Andreas","Sodium-based donor-acceptor assemblies featuring thermally activated delayed fluorescence enabled by highly efficient through-space charge transfer.","Chemical science","2026","17","9","4803","4813","10.1039/d5sc08432f","","","1.54178","CuKα","","0.1085","0.0817","","","0.2143","0.2317","","","","","","1.105","","","","has coordinates,has disorder","305335","2026-04-05","11:53:12",""
"1576808","15.4084","0.0009","7.9638","0.0005","18.8192","0.0012","90","","112.025","0.002","90","","2140.8","0.2","143","","143","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H20 O2 -","- C33 H20 O2 -","- C132 H80 O8 -","4","1","","Chen, Yuanyuan; Zhang, Yue; Wu, Guoyi; Luo, Ting; Jiang, Jialiang; Wang, Tengyue; Guo, Xiaoya; Zhang, Kaka","Ultrabright and narrowband organic afterglow achieved by molecular engineering of coronene.","Chemical science","2026","17","9","4538","4547","10.1039/d5sc08966b","","","0.71073","MoKα","","0.0812","0.0698","","","0.1686","0.1789","","","","","","1.053","","","","has coordinates","304821","2026-03-05","00:58:38",""
"1576853","7.2267","0.0012","11.976","0.002","14.973","0.003","90","","90","","90","","1295.9","0.4","100.4","","100.4","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Br O -","- C14 H17 Br O -","- C56 H68 Br4 O4 -","4","1","","Cataffo, Andrea; García-Padilla, Eduardo; Escofet, Imma; Fincias, Nicolás; Arnanz, Anna; Zuccarello, Giuseppe; Tian, Guilong; Cai, Luyu; Khorasanidarehdor, Fereshteh; Maseras, Feliu; Echavarren, Antonio M.","Enantioselective cyclization of bromoenynes: mechanistic understanding of gold(i)-catalyzed alkoxycyclizations.","Chemical science","2026","17","10","5005","5015","10.1039/d5sc09023g","","x-ray","0.71073","MoKα","","0.0298","0.0249","","","0.0634","0.0653","","","","","","1.042","","","","has coordinates","305038","2026-03-11","23:12:14",""
"1576854","25.415","0.0005","9.4489","0.00015","21.1616","0.0003","90","","110.432","0.002","90","","4762.11","0.15","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 F3 N2 O5 -","- C27 H23 F3 N2 O5 -","- C216 H184 F24 N16 O40 -","8","1","","Brownsey, Duncan K.; Schoepfer, Alexandre A.; Waser, Jerome","Stereoselective palladium-catalyzed carboetherification of cyclopropenes <i>via</i> a tethering strategy.","Chemical science","2026","17","10","5072","5078","10.1039/d5sc09351a","","x-ray","1.54184","CuKα","","0.0514","0.0413","","","0.1062","0.1121","","","","","","1.05","","","","has coordinates","305039","2026-03-11","23:12:37",""
"1576855","14.77504","0.0001","24.62736","0.00017","11.15008","0.00006","90","","90.3773","0.0006","90","","4057.09","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F6 N O3 -","- C21 H17 F6 N O3 -","- C168 H136 F48 N8 O24 -","8","2","","Brownsey, Duncan K.; Schoepfer, Alexandre A.; Waser, Jerome","Stereoselective palladium-catalyzed carboetherification of cyclopropenes <i>via</i> a tethering strategy.","Chemical science","2026","17","10","5072","5078","10.1039/d5sc09351a","","x-ray","1.54184","CuKα","","0.0336","0.0304","","","0.0768","0.0786","","","","","","1.013","","","","has coordinates","305039","2026-03-11","23:12:38",""
"1576856","22.76","0.02","3.955","0.004","22.51","0.02","90","","117.86","0.04","90","","1791","3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Diphenylbenzil","1,2-di([1,1'-biphenyl]-4-yl)ethane-1,2-dione","","- C13 H9 O -","- C13 H9 O -","- C104 H72 O8 -","8","1","","Dutta, Arnab; Singh, Utkarsh; Pati, Swapan K.; Maitra, Uday","""Impurity""-driven tunable organic room temperature phosphorescence <i>via</i> conformational regulation in multi host/guest systems.","Chemical science","2026","17","10","5016","5028","10.1039/d5sc08129g","","","0.71073","MoKα","","0.0566","0.051","","","0.1194","0.123","","","","","","1.118","","","","has coordinates","305040","2026-03-11","23:13:01",""
"1576857","22.8524","0.0018","4.0599","0.0003","22.5935","0.0018","90","","118.082","0.003","90","","1849.4","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Diphenylbenzil","1,2-di([1,1'-biphenyl]-4-yl)ethane-1,2-dione","","- C13 H9 O -","- C13 H9 O -","- C104 H72 O8 -","8","1","","Dutta, Arnab; Singh, Utkarsh; Pati, Swapan K.; Maitra, Uday","""Impurity""-driven tunable organic room temperature phosphorescence <i>via</i> conformational regulation in multi host/guest systems.","Chemical science","2026","17","10","5016","5028","10.1039/d5sc08129g","","","0.71073","MoKα","","0.0698","0.0579","","","0.1299","0.1364","","","","","","1.133","","","","has coordinates","305040","2026-03-11","23:13:02",""
"1576858","17.3171","0.0004","9.6215","0.00015","16.477","0.0004","90","","109.052","0.002","90","","2594.96","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C68 H48 Cl4 O2 -","- C68 H48 Cl4 O2 -","- C136 H96 Cl8 O4 -","2","1","","He, Jing; Liu, Wenlong; Wu, Siwei; Xie, Qi; Lian, Zhe; Li, Xiaonan; Guo, Shengzhu; Wang, Ying; Xu, Xinjun; Jiang, Hua","Pyrene-embedded nanohoops: synthesis and dopant engineering for organic solar cells with an enhanced efficiency of 19.96.","Chemical science","2026","17","10","5192","5200","10.1039/d5sc06584d","","x-ray","1.54184","CuKα","","0.0836","0.0786","","","0.2152","0.222","","","","","","1.06","","","","has coordinates,has disorder","305041","2026-03-11","23:13:23",""
"1576859","33.5055","0.0011","10.023","0.0003","14.784","0.0004","90","","96.225","0.003","90","","4935.6","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C69 H50 Cl2 O4 -","- C69 H50 Cl2 O4 -","- C276 H200 Cl8 O16 -","4","1","","He, Jing; Liu, Wenlong; Wu, Siwei; Xie, Qi; Lian, Zhe; Li, Xiaonan; Guo, Shengzhu; Wang, Ying; Xu, Xinjun; Jiang, Hua","Pyrene-embedded nanohoops: synthesis and dopant engineering for organic solar cells with an enhanced efficiency of 19.96.","Chemical science","2026","17","10","5192","5200","10.1039/d5sc06584d","","x-ray","1.54184","CuKα","","0.0693","0.0639","","","0.1658","0.1721","","","","","","1.042","","","","has coordinates,has disorder","305041","2026-03-11","23:13:24",""
"1576862","10.975","0.002","13.652","0.004","14.195","0.004","98.33","0.017","105.443","0.014","109.025","0.015","1874.4","0.9","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H66 Bi P3 -","- C36 H66 Bi P3 -","- C72 H132 Bi2 P6 -","2","1","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","","0.71073","MoKα","","0.0474","0.0427","","","0.0986","0.1002","","","","","","1.154","","","","has coordinates,has disorder","305043","2026-03-11","23:14:30",""
"1576863","10.733","0.002","16.156","0.005","19.97","0.006","90","","100.112","0.013","90","","3409.1","1.6","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H57 Bi F3 P3 -","- C27 H57 Bi F3 P3 -","- C108 H228 Bi4 F12 P12 -","4","1","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","","0.71073","MoKα","","0.0484","0.0377","","","0.0864","0.0908","","","","","","1.087","","","","has coordinates","305043","2026-03-11","23:14:31",""
"1576864","8.8768","0.0005","18.1553","0.0009","13.2912","0.0006","90","","90.053","0.002","90","","2142.02","0.19","278.15","","278.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 P2 -","- C20 H40 P2 -","- C80 H160 P8 -","4","1","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","","0.71073","MoKα","","0.0547","0.0429","","","0.0999","0.105","","","","","","1.076","","","","has coordinates","305043","2026-03-11","23:14:31",""
"1576865","11.5915","0.0003","16.9444","0.0004","16.3179","0.0005","90","","108.02","0.003","90","","3047.8","0.15","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H54 Bi P3 -","- C24 H54 Bi P3 -","- C96 H216 Bi4 P12 -","4","1","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","x-ray","0.71073","MoKα","","0.049","0.0323","","","0.0704","0.0743","","","","","","1.059","","","","has coordinates,has disorder","305043","2026-03-11","23:14:31",""
"1576866","10.6674","0.0018","11.2245","0.0018","16.111","0.003","105.555","0.01","90.969","0.01","115.023","0.009","1665.1","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H60 Bi P3 -","- C30 H60 Bi P3 -","- C60 H120 Bi2 P6 -","2","1","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","","0.71073","MoKα","","0.0175","0.0156","","","0.0312","0.0317","","","","","","1.069","","","","has coordinates","305043","2026-03-11","23:14:31",""
"1576867","8.7077","0.0004","12.9666","0.0006","14.9308","0.0007","105.127","0.002","90.987","0.002","95.913","0.002","1617.04","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H36 P2 S2 -","- C17 H36 P2 S2 -","- C51 H108 P6 S6 -","3","1.5","","Reith, Sascha; Oberdorf, Kai; Martínez, Sebstián; Landgraf, Jann B.; Ahrens, Alena; Jakobi, Felix; Xie, Xiulan; Lichtenberg, Crispin","The bismuth phosphanides Bi(PR<sub>2</sub>)<sub>3</sub>: sources of phosphanyl radicals, P-inversion, and reversible olefin insertion.","Chemical science","2026","17","10","5183","5191","10.1039/d5sc07240a","","","0.71073","MoKα","","0.0553","0.0533","","","0.12","0.121","","","","","","1.19","","","","has coordinates,has disorder","305043","2026-03-11","23:14:32",""
"1576868","7.1892","0.0001","16.6927","0.0004","17.5904","0.0004","66.493","0.002","89.947","0.002","89.447","0.002","1935.69","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H24 O6 S3 -","- C42 H24 O6 S3 -","- C84 H48 O12 S6 -","2","1","","Xu, Gaoqiang; Zhao, Ying; Xie, Sheng; Zhou, Zhibiao; Luo, Ziyu; Liu, Haohao; Zhang, Yang; Qiu, Zijie; Pan, Anlian; Zeng, Zebing; Tang, Ben Zhong","Sulfone-functionalized stereoisomeric [3]radialene displays guest induced modulation of porous frameworks and critical crystallization-induced near-infrared emission.","Chemical science","2026","17","10","5092","5102","10.1039/d5sc06925d","","x-ray","1.54184","CuKα","","0.0464","0.0419","","","0.1002","0.1018","","","","","","1.049","","","","has coordinates","305044","2026-03-11","23:15:15",""
"1576869","14.4113","0.0004","25.3415","0.0008","12.3572","0.0004","90","","109.413","0.001","90","","4256.3","0.2","213","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 O6 S3 -","- C42 H24 O6 S3 -","- C168 H96 O24 S12 -","4","1","","Xu, Gaoqiang; Zhao, Ying; Xie, Sheng; Zhou, Zhibiao; Luo, Ziyu; Liu, Haohao; Zhang, Yang; Qiu, Zijie; Pan, Anlian; Zeng, Zebing; Tang, Ben Zhong","Sulfone-functionalized stereoisomeric [3]radialene displays guest induced modulation of porous frameworks and critical crystallization-induced near-infrared emission.","Chemical science","2026","17","10","5092","5102","10.1039/d5sc06925d","","","0.71073","MoKα","","0.0554","0.0446","","","0.1499","0.16","","","","","","1.169","","","","has coordinates","305044","2026-03-11","23:15:16",""
"1576870","14.864","0.002","25.267","0.004","12.5224","0.0018","90","","109.556","0.004","90","","4431.7","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 O7 S3 -","- C44 H28 O7 S3 -","- C176 H112 O28 S12 -","4","1","","Xu, Gaoqiang; Zhao, Ying; Xie, Sheng; Zhou, Zhibiao; Luo, Ziyu; Liu, Haohao; Zhang, Yang; Qiu, Zijie; Pan, Anlian; Zeng, Zebing; Tang, Ben Zhong","Sulfone-functionalized stereoisomeric [3]radialene displays guest induced modulation of porous frameworks and critical crystallization-induced near-infrared emission.","Chemical science","2026","17","10","5092","5102","10.1039/d5sc06925d","","","0.71073","MoKα","","0.187","0.0901","","","0.2436","0.2939","","","","","","0.994","","","","has coordinates","305044","2026-03-11","23:15:16",""
"1576871","7.868","0.004","22.623","0.015","18.246","0.013","90","","94.783","0.014","90","","3236","4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2.29 O0.57 S0.29 -","- C4 H2.28571 O0.571429 S0.285714 -","- C168 H96 O24 S12 -","42","10.5","","Xu, Gaoqiang; Zhao, Ying; Xie, Sheng; Zhou, Zhibiao; Luo, Ziyu; Liu, Haohao; Zhang, Yang; Qiu, Zijie; Pan, Anlian; Zeng, Zebing; Tang, Ben Zhong","Sulfone-functionalized stereoisomeric [3]radialene displays guest induced modulation of porous frameworks and critical crystallization-induced near-infrared emission.","Chemical science","2026","17","10","5092","5102","10.1039/d5sc06925d","","","0.71073","MoKα","","0.0574","0.0439","","","0.1082","0.1186","","","","","","1.079","","","","has coordinates","305044","2026-03-11","23:15:16",""
"1576893","9.4288","0.0005","12.6625","0.0007","13.1745","0.0007","90","","95.224","0.005","90","","1566.4","0.15","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","","Gnavi, Riccardo; De Nardi, Federica; Meazzo, Carolina; Ghinato, Simone; Grimaldi, Ettore; Maranzana, Andrea; Prandi, Cristina; Blangetti, Marco","Solvent-controlled, chemodivergent oxidative anionic Fries rearrangement of <i>O</i>-aryl carbamates under aerobic conditions.","Chemical science","2026","17","11","5701","5711","10.1039/d5sc09227b","","x-ray","0.71073","MoKα","","0.1034","0.0617","","","0.1512","0.1721","","","","","","1.026","","","","has coordinates","305129","2026-03-18","23:19:13",""
"1576894","9.2426","0.0001","43.0831","0.0005","19.3643","0.0002","90","","93.29","0.001","90","","7698.15","0.15","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H33 Cl3 N2 -","- C49 H33 Cl3 N2 -","- C392 H264 Cl24 N16 -","8","2","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","1.54184","CuKα","","0.0853","0.0756","","","0.1621","0.1655","","","","","","1.111","","","","has coordinates","305130","2026-03-18","23:20:19",""
"1576895","45.8525","0.0009","13.1186","0.0003","33.5659","0.0007","90","","132.199","0.001","90","","14957.5","0.6","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H86 Cl2 N2 O10 -","- C90 H86 Cl2 N2 O10 -","- C720 H688 Cl16 N16 O80 -","8","1","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","1.54178","CuKα","","0.0815","0.0778","","","0.2279","0.2316","","","","","","1.034","","","","has coordinates,has disorder","305130","2026-03-18","23:20:19",""
"1576896","31.0098","0.001","24.3849","0.0008","22.9318","0.0007","90","","120.024","0.001","90","","15013.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88.5 H84 Cl2 N2 O10.5 -","- C87 H78 Cl2 N2 O9 -","- C696 H624 Cl16 N16 O72 -","8","1","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","0.68878","MoKα","","0.1315","0.124","","","0.3586","0.3737","","","","","","1.623","","","","has coordinates,has disorder","305130","2026-03-18","23:20:19",""
"1576897","45.8868","0.0017","13.115","0.0005","33.8049","0.0013","90","","132.234","0.002","90","","15062.8","1.1","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H82 Cl2 N2 O12 -","- C90 H82 Cl2 N2 O12 -","- C720 H656 Cl16 N16 O96 -","8","1","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","1.54178","CuKα","","0.0917","0.0687","","","0.1962","0.2218","","","","","","1.031","","","","has coordinates,has disorder","305130","2026-03-18","23:20:19",""
"1576898","15.5235","0.0015","12.3965","0.001","20.4377","0.0015","90","","102.146","0.006","90","","3844.9","0.6","300.15","","300.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C85 H72 N2 O8 -","- C85 H72 N2 O8 -","- C170 H144 N4 O16 -","2","0.5","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","0.71073","MoKα","","0.1153","0.1004","","","0.195","0.2042","","","","","","1.078","","","","has coordinates","305130","2026-03-18","23:20:19",""
"1576899","17.7269","0.0008","22.0508","0.0011","20.6123","0.0011","90","","103.142","0.002","90","","7846.2","0.7","271","","271","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H88 N2 O12 -","- C93 H88 N2 O12 -","- C372 H352 N8 O48 -","4","1","","Li, Meng-Hao; Hui, Hui; Wang, Yan; Yang, Ying-Wei","Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism <i>via</i> a macrocycle-mediated blocking strategy.","Chemical science","2026","17","11","5745","5757","10.1039/d5sc08539j","","","0.71073","MoKα","","0.0862","0.0623","","","0.1503","0.1753","","","","","","1.057","","","","has coordinates","305130","2026-03-18","23:20:19",""
"1576900","41.747","0.003","7.8119","0.0007","30.271","0.003","90","","120.236","0.003","90","","8529.1","1.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","DGR-OPh_200K","","","- C42.75 H36.5 B Cl0.75 N6 O13 -","- C42.75 H36.5 B Cl0.75 N6 O13 -","- C342 H292 B8 Cl6 N48 O104 -","8","1","","Krishna, Swathi; Cañizares-Espada, Elena; Guzmán, David; Bo, Yifan; Clark, Timothy; Torres, Tomás; Guldi, Dirk M.; Rodríguez-Morgade, M Salomé","Subporphyrazine scaffolds as emerging electron acceptors for long-lived charge separation.","Chemical science","2026","17","11","5563","5575","10.1039/d5sc08213g","","","0.71073","MoKα","","0.2174","0.0772","","","0.1761","0.2511","","","","","","1.026","","","","has coordinates","305132","2026-03-18","23:21:08",""
"1576903","6.23","0.002","6.529","0.002","17.766","0.004","90","0.03","90","0.03","90","0.03","722.6","0.4","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Chen, Siying; Yang, Junli; Liu, Shuaijie; Huo, Yehong; Cheng, Xin; Li, Lingling; Ji, Wei","Natural monosaccharide-based piezoelectric supramolecular materials for energy harvesting and information transmission.","Chemical science","2026","17","11","5416","5429","10.1039/d5sc07918g","","","1.54178","CuKα","","0.0272","0.0269","","","0.0715","0.0718","","","","","","1.081","","","","has coordinates","305135","2026-03-18","23:21:50",""
"1576904","10.6593","0.0005","15.9035","0.0006","13.8171","0.0005","90","","90.395","0.004","90","","2342.22","0.16","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Br4 Mn N2 -","- C16 H34 Br4 Mn N2 -","- C64 H136 Br16 Mn4 N8 -","4","1","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.0754","0.0407","","","0.0935","0.105","","","","","","1.018","","","","has coordinates","305136","2026-03-18","23:22:10",""
"1576905","10.8247","0.0007","16.1344","0.0008","13.9638","0.001","90","","90.827","0.007","90","","2438.5","0.3","450","2","450","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Br4 Mn N2 -","- C16 H34 Br4 Mn N2 -","- C64 H136 Br16 Mn4 N8 -","4","1","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.1974","0.0882","","","0.193","0.246","","","","","","1.041","","","","has coordinates","305136","2026-03-18","23:22:10",""
"1576906","8.7989","0.0004","14.7459","0.0005","16.2993","0.0005","90","","90","","90","","2114.8","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 Br4 Mn N2 -","- C14 H30 Br4 Mn N2 -","- C56 H120 Br16 Mn4 N8 -","4","1","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.0442","0.0362","","","0.0678","0.0698","","","","","","1.057","","","","has coordinates","305137","2026-03-18","23:22:46",""
"1576907","13.4876","0.0006","14.7799","0.0006","14.8775","0.0006","63.469","0.004","70.028","0.004","69.911","0.004","2428.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H36 Br4 Mn N2 -","- C17 H36 Br4 Mn N2 -","- C68 H144 Br16 Mn4 N8 -","4","2","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.0827","0.0644","","","0.1576","0.1766","","","","","","1.1","","","","has coordinates","305137","2026-03-18","23:22:46",""
"1576908","10.5587","0.0003","15.7778","0.0004","13.6472","0.0004","90","","91.704","0.002","90","","2272.52","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H33 Br4 Mn N2 -","- C16 H33 Br4 Mn N2 -","- C64 H132 Br16 Mn4 N8 -","4","1","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.0636","0.0439","","","0.0824","0.0887","","","","","","1.026","","","","has coordinates","305137","2026-03-18","23:22:46",""
"1576909","14.8872","0.0007","14.046","0.0005","15.5723","0.0008","90","","114.371","0.006","90","","2966.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H48 Br4 Mn N2 -","- C22 H48 Br4 Mn N2 -","- C88 H192 Br16 Mn4 N8 -","4","1","","Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying","A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.","Chemical science","2026","17","11","5532","5541","10.1039/d5sc07813j","","","0.71073","MoKα","","0.0368","0.0316","","","0.0674","0.0688","","","","","","1.031","","","","has coordinates","305137","2026-03-18","23:22:46",""
"1576918","18.8242","0.0008","20.1227","0.0009","22.8761","0.001","92.677","0.002","108.915","0.002","93.71","0.002","8159.2","0.6","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H77 B4 N3 O4 -","- C86 H77 B4 N3 O4 -","- C344 H308 B16 N12 O16 -","4","2","","Wu, Jian-Rong; Yang, Yue-Jian; Yuan, Hai-Tian; Ge, Shi-Jie; Qu, Yang-Kun; Jiang, Hai-Xiao; Liu, Yin; Zhou, Dong-Ying; Liao, Liang-Sheng; Jiang, Zuo-Quan","Ladder-type π-conjugated frameworks with multi-heteroatom modulation for narrowband violet-blue multiple-resonance emitters with a low CIE <sub><i>y</i></sub> of 0.03.","Chemical science","2026","17","11","5638","5647","10.1039/d5sc09014h","","","1.54178","CuKα","","0.1333","0.0962","","","0.2763","0.3066","","","","","","1.041","","","","has coordinates,has disorder","305139","2026-03-18","23:25:20",""
"1576919","13.9689","0.0006","19.0091","0.0008","14.0226","0.0006","90","","103.179","0.003","90","","3625.4","0.3","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H82 B3 Cl2 N3 O4 -","- C87 H82 B3 Cl2 N3 O4 -","- C174 H164 B6 Cl4 N6 O8 -","2","1","","Wu, Jian-Rong; Yang, Yue-Jian; Yuan, Hai-Tian; Ge, Shi-Jie; Qu, Yang-Kun; Jiang, Hai-Xiao; Liu, Yin; Zhou, Dong-Ying; Liao, Liang-Sheng; Jiang, Zuo-Quan","Ladder-type π-conjugated frameworks with multi-heteroatom modulation for narrowband violet-blue multiple-resonance emitters with a low CIE <sub><i>y</i></sub> of 0.03.","Chemical science","2026","17","11","5638","5647","10.1039/d5sc09014h","","","1.54178","CuKα","","0.0983","0.074","","","0.1843","0.2003","","","","","","1.036","","","","has coordinates","305139","2026-03-18","23:25:20",""
"1576920","21.1315","0.0008","12.567","0.0005","32.2663","0.0013","90","","91.372","0.003","90","","8566.2","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H65 B4 F4 N3 O4 -","- C82 H65 B4 F4 N3 O4 -","- C328 H260 B16 F16 N12 O16 -","4","1","","Wu, Jian-Rong; Yang, Yue-Jian; Yuan, Hai-Tian; Ge, Shi-Jie; Qu, Yang-Kun; Jiang, Hai-Xiao; Liu, Yin; Zhou, Dong-Ying; Liao, Liang-Sheng; Jiang, Zuo-Quan","Ladder-type π-conjugated frameworks with multi-heteroatom modulation for narrowband violet-blue multiple-resonance emitters with a low CIE <sub><i>y</i></sub> of 0.03.","Chemical science","2026","17","11","5638","5647","10.1039/d5sc09014h","","","1.54178","CuKα","","0.1562","0.1153","","","0.312","0.3479","","","","","","1.157","","","","has coordinates","305139","2026-03-18","23:25:20",""
"1576921","7.9304","0.0008","12.1713","0.0013","18.2053","0.0019","90","","98.604","0.006","90","","1737.5","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl N2 Ru -","- C19 H21 Cl N2 Ru -","- C76 H84 Cl4 N8 Ru4 -","4","1","","Zhang, Xi; Zhao, Shan; Zhou, Chen; Chen, Guo; Cao, Liru; Lin, Jian; Tang, Chen; Liu, Zhi-Yan; He, Piao; Yi, Xiao-Yi","Selective NH<sub>3</sub>-to-N<sub>2</sub>H<sub>4</sub> conversion electrocatalysed by ruthenium(ii)-cymene complexes.","Chemical science","2026","17","11","5595","5603","10.1039/d5sc08826g","","","0.71073","MoKα","","0.0301","0.0237","","","0.0575","0.0607","","","","","","1.033","","","","has coordinates","305140","2026-03-18","23:26:16",""
"1576922","13.866","0.004","9.926","0.002","29.844","0.008","90","","90","","90","","4107.5","1.8","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 Cl N2 O Ru -","- C21 H27 Cl N2 O Ru -","- C168 H216 Cl8 N16 O8 Ru8 -","8","1","","Zhang, Xi; Zhao, Shan; Zhou, Chen; Chen, Guo; Cao, Liru; Lin, Jian; Tang, Chen; Liu, Zhi-Yan; He, Piao; Yi, Xiao-Yi","Selective NH<sub>3</sub>-to-N<sub>2</sub>H<sub>4</sub> conversion electrocatalysed by ruthenium(ii)-cymene complexes.","Chemical science","2026","17","11","5595","5603","10.1039/d5sc08826g","","","0.71073","MoKα","","0.075","0.0395","","","0.0837","0.0971","","","","","","1.009","","","","has coordinates","305140","2026-03-18","23:26:16",""
"1576923","14.2628","0.0001","14.3393","0.0002","42.7074","0.0004","90","","90","","90","","8734.46","0.16","99.98","0.19","99.98","0.19","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H104 F24 N12 P4 Ru4 -","- C80 H104 F24 N12 P4 Ru4 -","- C320 H416 F96 N48 P16 Ru16 -","4","1","","Zhang, Xi; Zhao, Shan; Zhou, Chen; Chen, Guo; Cao, Liru; Lin, Jian; Tang, Chen; Liu, Zhi-Yan; He, Piao; Yi, Xiao-Yi","Selective NH<sub>3</sub>-to-N<sub>2</sub>H<sub>4</sub> conversion electrocatalysed by ruthenium(ii)-cymene complexes.","Chemical science","2026","17","11","5595","5603","10.1039/d5sc08826g","","x-ray","1.54184","CuKα","","0.0771","0.0699","","","0.1823","0.1873","","","","","","1.089","","","","has coordinates","305140","2026-03-18","23:26:16",""
"1576924","17.043","0.0008","7.7147","0.0004","16.6516","0.0008","90","","113.872","0.003","90","","2002.08","0.18","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Cl N2 Ru -","- C22 H27 Cl N2 Ru -","- C88 H108 Cl4 N8 Ru4 -","4","1","","Zhang, Xi; Zhao, Shan; Zhou, Chen; Chen, Guo; Cao, Liru; Lin, Jian; Tang, Chen; Liu, Zhi-Yan; He, Piao; Yi, Xiao-Yi","Selective NH<sub>3</sub>-to-N<sub>2</sub>H<sub>4</sub> conversion electrocatalysed by ruthenium(ii)-cymene complexes.","Chemical science","2026","17","11","5595","5603","10.1039/d5sc08826g","","","0.71073","MoKα","","0.0491","0.0337","","","0.0733","0.0797","","","","","","1.023","","","","has coordinates","305140","2026-03-18","23:26:16",""
"1576925","16.5485","0.0006","7.7864","0.0003","14.8165","0.0006","90","","104.586","0.002","90","","1847.62","0.12","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N2 Ru -","- C20 H23 Cl N2 Ru -","- C80 H92 Cl4 N8 Ru4 -","4","1","","Zhang, Xi; Zhao, Shan; Zhou, Chen; Chen, Guo; Cao, Liru; Lin, Jian; Tang, Chen; Liu, Zhi-Yan; He, Piao; Yi, Xiao-Yi","Selective NH<sub>3</sub>-to-N<sub>2</sub>H<sub>4</sub> conversion electrocatalysed by ruthenium(ii)-cymene complexes.","Chemical science","2026","17","11","5595","5603","10.1039/d5sc08826g","","","0.71073","MoKα","","0.0552","0.033","","","0.0615","0.0682","","","","","","1.021","","","","has coordinates","305140","2026-03-18","23:26:16",""
"1576926","12.7332","0.0014","19.7139","0.0019","22.965","0.003","90","","98.091","0.004","90","","5707.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2a","","- C50 H89 Al N3 Na Si3 -","- C50 H89 Al N3 Na Si3 -","- C200 H356 Al4 N12 Na4 Si12 -","4","1","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.1485","0.0919","","","0.2419","0.3434","","","","","","1.056","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576927","22.679","0.003","12.3747","0.0015","29.1","0.004","90","","105.38","0.004","90","","7874.3","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","6'","","- C76 H122 Al N6 Na O Si3 -","- C76 H122 Al N6 Na O Si3 -","- C304 H488 Al4 N24 Na4 O4 Si12 -","4","1","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.0646","0.0457","","","0.1151","0.1222","","","","","","0.976","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576928","13.4662","0.0011","15.2603","0.0014","18.1791","0.0016","91.518","0.003","92.963","0.003","115.278","0.003","3368.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","5","","- C65 H110 Al N3 Na O3 Si3 -","- C65 H110 Al N3 Na O3 Si3 -","- C130 H220 Al2 N6 Na2 O6 Si6 -","2","1","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.0374","0.0363","","","0.0996","0.1008","","","","","","1.055","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576929","40.718","0.002","12.233","0.0006","24.1961","0.0013","90","","104.607","0.003","90","","11662.6","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","6","","- C53 H95 Al N3 Na O3 Si3 -","- C53 H95 Al N3 Na O3 Si3 -","- C424 H760 Al8 N24 Na8 O24 Si24 -","8","1","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.0916","0.0791","","","0.2217","0.2373","","","","","","1.026","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576930","14.5099","0.0007","16.7775","0.0008","21.5228","0.001","88.188","0.002","79.16","0.002","76.431","0.002","5002","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","7","","- C142 H242 Al2 N18 Na2 O4 Si6 -","- C142 H242 Al2 N18 Na2 O4 Si6 -","- C142 H242 Al2 N18 Na2 O4 Si6 -","1","0.5","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.0609","0.0503","","","0.1519","0.1631","","","","","","1.033","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576931","16.0418","0.0008","19.154","0.001","18.3143","0.0009","90","","91.533","0.002","90","","5625.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","8","","- C100 H170 Al2 N6 Na2 O4 Si6 -","- C100 H170 Al2 N6 Na2 O4 Si6 -","- C200 H340 Al4 N12 Na4 O8 Si12 -","2","0.5","","Ludwig, Moritz; Voigtland, Johannes; Vasko, Petra; Stigler, Sebastian; Inoue, Shigeyoshi","Alumanyl silanides as multifunctional reagents for olefin cycloaddition, CO hydrosilylation, and reductive CO coupling.","Chemical science","2026","17","11","5463","5473","10.1039/d5sc09910b","","x-ray","0.71073","MoKα","","0.0763","0.0711","","","0.1925","0.1978","","","","","","1.049","","","","has coordinates,has disorder","305141","2026-03-18","23:27:19",""
"1576932","12.2812","0.0004","12.5497","0.0004","17.7177","0.0005","75.249","0.002","71.32","0.002","62.721","0.002","2280.26","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H64 Fe0.06 Li4 N16 Sn9 -","- C16 H64 Fe0.059 Li4 N16 Sn9 -","- C32 H128 Fe0.118 Li8 N32 Sn18 -","2","1","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0383","0.0273","","","0.0694","0.0721","","","","","","1.013","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576933","14.2677","0.0003","17.454","0.0004","18.9631","0.0005","90","","90","","90","","4722.35","0.19","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H64 Li4 N16 Pb9 Pt0.43 -","- C16 H64 Li4 N16 Pb9 Pt0.426 -","- C64 H256 Li16 N64 Pb36 Pt1.704 -","4","0.5","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0916","0.0547","","","0.0915","0.1059","","","","","","1.134","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576934","10.4131","0.0002","25.7429","0.0007","20.7178","0.0004","90","","102.491","0.002","90","","5422.2","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H60 Fe0.06 K4 N3 O12 Sn9 -","- C27 H60 Fe0.055 K4 N3 O12 Sn9 -","- C108 H240 Fe0.22 K16 N12 O48 Sn36 -","4","1","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0529","0.0368","","","0.0825","0.0893","","","","","","1.028","","","","has coordinates,has disorder","305142","2026-03-18","23:28:40",""
"1576935","14.2941","0.0006","17.4447","0.0008","19.0306","0.0011","90","","90","","90","","4745.4","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H64 Li4 N16 Pb9 Pd0.46 -","- C16 H64 Li4 N16 Pb9 Pd0.46 -","- C64 H256 Li16 N64 Pb36 Pd1.84 -","4","0.5","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0741","0.041","","","0.0787","0.089","","","","","","1.024","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576936","14.3235","0.0004","17.347","0.0004","18.893","0.0005","90","","90","","90","","4694.3","0.2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H64 Li4 N16 Ni Sn9 -","- C16 H64 Li4 N16 Ni Sn9 -","- C64 H256 Li16 N64 Ni4 Sn36 -","4","0.5","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0277","0.0216","","","0.0534","0.0554","","","","","","1.038","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576937","14.261","0.0004","17.3545","0.0004","18.869","0.0004","90","","90","","90","","4669.9","0.2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H64 Co0.83 Li4 N16 Sn9 -","- C16 H64 Co0.827 Li4 N16 Sn9 -","- C64 H256 Co3.308 Li16 N64 Sn36 -","4","0.5","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.046","0.0347","","","0.0714","0.0755","","","","","","1.036","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576938","14.3052","0.0007","17.3899","0.0007","18.9589","0.0011","90","","90","","90","","4716.3","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H64 Li4 N16 Pd0.82 Sn9 -","- C16 H64 Li4 N16 Pd0.824 Sn9 -","- C64 H256 Li16 N64 Pd3.296 Sn36 -","4","0.5","","Fajman, C. E.; Dankert, D. M.; Coburger, P.; Klein, W.; Fässler, T F","Endohedral anionic nine-atom Zintl clusters of the elements tin and lead with lithium counterions.","Chemical science","2026","17","11","5498","5509","10.1039/d5sc08011h","","","0.71073","MoKα","","0.0994","0.0526","","","0.1093","0.1288","","","","","","1.019","","","","has coordinates","305142","2026-03-18","23:28:40",""
"1576947","17.5969","0.0006","21.9736","0.0007","22.7357","0.0009","102.382","0.0019","93.1489","0.0018","94.7641","0.0016","8533.1","0.5","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C141.9 H137.9 B Cl29.7 F4 N29 -","- C136.9 H132.9 B Cl14.7 F4 N29 -","- C273.8 H265.8 B2 Cl29.4 F8 N58 -","2","1","","Lu, Yuyang; Zhou, Ping; Tang, Hua; Wu, Yating; Kuang, Yueyan; Cao, Ze; Liu, Jiyong; Wu, Guangcheng; Chen, Hongliang; Li, Hao","Neutral anion-detecting organic cages based on anion-π interactions.","Chemical science","2026","17","12","5993","6004","10.1039/d5sc08157b","","x-ray","1.34139","GaKα","","0.1168","0.076","","","0.2079","0.2342","","","","","","1.053","","","","has coordinates,has disorder","305166","2026-03-25","23:27:56",""
"1576948","17.6131","0.001","22.0166","0.0014","22.7591","0.0014","102.389","0.003","93.067","0.003","94.661","0.002","8568.7","0.9","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C141.29 H137.29 Cl28.86 N29 O4 -","- C136.788 H132.788 Cl15.364 N29 O4 -","- C273.576 H265.576 Cl30.728 N58 O8 -","2","1","","Lu, Yuyang; Zhou, Ping; Tang, Hua; Wu, Yating; Kuang, Yueyan; Cao, Ze; Liu, Jiyong; Wu, Guangcheng; Chen, Hongliang; Li, Hao","Neutral anion-detecting organic cages based on anion-π interactions.","Chemical science","2026","17","12","5993","6004","10.1039/d5sc08157b","","x-ray","1.34139","GaKα","","0.122","0.0743","","","0.1904","0.2189","","","","","","1.049","","","","has coordinates,has disorder","305166","2026-03-25","23:27:56",""
"1576949","14.2814","0.0011","13.6741","0.0009","14.316","0.0016","90","","119.883","0.002","90","","2424","0.4","293","0.1","293","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H20 Br4 Mn N2 -","- C9 H20 Br4 Mn N2 -","- C54 H120 Br24 Mn6 N12 -","6","3","","Yuan, Jiayi; Xu, Yu; Zhai, Lu; Hei, Shan-Shan; Huang, Jianyi; Ning, Weihua; Cai, Hong-Ling; Ren, Xiao-Ming","Rotational symmetry dication assembling ferroelectric, thermochromic and circularly polarized luminescent multifunctional manganese(ii) bromide hybrid.","Chemical science","2026","17","12","5965","5971","10.1039/d5sc08499g","","x-ray","0.71073","MoKα","","0.1151","0.093","","","0.227","0.2419","","","","","","1.034","","","","has coordinates","305167","2026-03-25","23:28:05",""
"1576950","14.4907","0.0016","14.4907","0.0016","13.6423","0.0018","90","","90","","120","","2480.8","0.5","438","2","438","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C9 H20 Br4 Mn N2 -","- C9 H20 Br4 Mn N2 -","- C54 H120 Br24 Mn6 N12 -","6","1","","Yuan, Jiayi; Xu, Yu; Zhai, Lu; Hei, Shan-Shan; Huang, Jianyi; Ning, Weihua; Cai, Hong-Ling; Ren, Xiao-Ming","Rotational symmetry dication assembling ferroelectric, thermochromic and circularly polarized luminescent multifunctional manganese(ii) bromide hybrid.","Chemical science","2026","17","12","5965","5971","10.1039/d5sc08499g","","x-ray","0.71073","MoKα","","0.1841","0.0954","","","0.263","0.3199","","","","","","1.069","","","","has coordinates,has disorder","305167","2026-03-25","23:28:05",""
"1576951","13.181","0.0002","16.2119","0.0004","16.3726","0.0006","94.325","0.002","92.658","0.002","90.373","0.002","3484.75","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H72 F0.5 N8 O12 -","- C88 H60 F12 N8 -","- C176 H120 F24 N16 -","2","1","","Dash, Om Prakash; Singh, Anurag; Shukla, Rahul K.; Volla, Chandra M. R.","Ru(ii)-catalyzed regioselective (3 + 2)-annulation of anilines with allenes to access 2-vinylindoles.","Chemical science","2026","17","12","5944","5952","10.1039/d5sc06303e","","x-ray","0.71073","MoKα","","0.0855","0.0666","","","0.169","0.1804","","","","","","1.064","","","","has coordinates","305336","2026-04-05","11:53:20",""
"1576952","7.9808","0.0005","11.7665","0.0009","13.3819","0.001","89.34","0.006","80.584","0.006","77.853","0.006","1211.61","0.15","226","30","226","30","","","","","","","","3","P -1","-P 1","2","","","","- C30 H25 N5 -","- C30 H25 N5 -","- C60 H50 N10 -","2","1","","Dash, Om Prakash; Singh, Anurag; Shukla, Rahul K.; Volla, Chandra M. R.","Ru(ii)-catalyzed regioselective (3 + 2)-annulation of anilines with allenes to access 2-vinylindoles.","Chemical science","2026","17","12","5944","5952","10.1039/d5sc06303e","","x-ray","0.71073","MoKα","","0.1152","0.0576","","","0.1356","0.166","","","","","","0.989","","","","has coordinates","305336","2026-04-05","11:53:20",""
"1576953","8.70612","0.00015","10.77758","0.00019","26.5637","0.0004","90","","99.3234","0.0016","90","","2459.57","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 F3 O8 -","- C23 H35 F3 O8 -","- C92 H140 F12 O32 -","4","1","","Ghosh, Krishna Gopal; Das, Debabrata; Srinivasu, Vinjamuri; Pal, Koustav; Sureshkumar, Devarajulu","Photocatalytic remote C(sp<sup>3</sup>)-H alkylation of long-chain alkenes: A tandem multicomponent approach <i>via</i> radical translocation.","Chemical science","2026","17","12","5888","5898","10.1039/d5sc08683c","","x-ray","1.54184","CuKα","","0.0564","0.051","","","0.1378","0.1446","","","","","","1.095","","","","has coordinates","305169","2026-03-25","23:28:26",""
"1576954","12.8044","0.0003","19.2055","0.0004","13.1893","0.0003","90","","114.067","0.002","90","","2961.49","0.12","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F6 N2 O4 -","- C30 H30 F6 N2 O4 -","- C120 H120 F24 N8 O16 -","4","1","","Ghosh, Krishna Gopal; Das, Debabrata; Srinivasu, Vinjamuri; Pal, Koustav; Sureshkumar, Devarajulu","Photocatalytic remote C(sp<sup>3</sup>)-H alkylation of long-chain alkenes: A tandem multicomponent approach <i>via</i> radical translocation.","Chemical science","2026","17","12","5888","5898","10.1039/d5sc08683c","","x-ray","1.54184","CuKα","","0.0803","0.0657","","","0.1494","0.1578","","","","","","1.057","","","","has coordinates","305169","2026-03-25","23:28:26",""
"1576957","10.1405","0.0003","19.2601","0.0005","17.2094","0.0006","90","","95.185","0.001","90","","3347.36","0.18","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","ZnSm","","- C32 H29 N4 O12 Sm Zn -","- C32 H29 N4 O12 Sm Zn -","- C128 H116 N16 O48 Sm4 Zn4 -","4","2","","Sun, Rong; Huang, Hong; Xia, Ye; Liu, Youchao; Tao, Xingquan; Zhang, Jun-Long; Wang, Bing-Wu; Gao, Song","A molecular dual-center emitter for ratiometric optical thermometry.","Chemical science","2026","17","12","6079","6085","10.1039/d5sc09574c","","","0.71073","MoKα","","0.0589","0.051","","","0.1247","0.1307","","","","","","1.075","","","","has coordinates","305171","2026-03-25","23:28:45",""
"1576958","10.0973","0.0003","19.1846","0.0004","17.427","0.0004","90","","94.501","0.002","90","","3365.42","0.14","180","","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Gd N4 O12 Zn -","- C32 H29 Gd N4 O12 Zn -","- C128 H116 Gd4 N16 O48 Zn4 -","4","1","","Sun, Rong; Huang, Hong; Xia, Ye; Liu, Youchao; Tao, Xingquan; Zhang, Jun-Long; Wang, Bing-Wu; Gao, Song","A molecular dual-center emitter for ratiometric optical thermometry.","Chemical science","2026","17","12","6079","6085","10.1039/d5sc09574c","","x-ray","0.71073","MoKα","","0.0465","0.0348","","","0.0683","0.0716","","","","","","1.108","","","","has coordinates,has disorder","305171","2026-03-25","23:28:45",""
"1576966","6.9092","0.0002","7.4194","0.0002","16.6957","0.0005","96.226","0.002","91.986","0.002","106.077","0.002","815.66","0.04","300.1","0.7","300.1","0.7","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 S2 Si2 -","- C34 H38 S2 Si2 -","- C34 H38 S2 Si2 -","1","0.5","","Lekavičius, Justas; Radiunas, Edvinas; Kreiza, Gediminas; Jozeliūnaitė, Augustina; Orentas, Edvinas; Kazlauskas, Karolis","Aggregation favors singlet formation in TES-ADT triplet annihilator for photon upconversion.","Chemical science","2026","17","12","6230","6237","10.1039/d5sc07013a","","x-ray","1.54184","CuKα","","0.1193","0.1122","","","0.3878","0.3991","","","","","","1.865","","","","has coordinates","305173","2026-03-25","23:29:18",""
"1576967","17.0458","0.0002","17.9934","0.0002","22.7406","0.0003","90","","90","","90","","6974.81","0.15","153","2","153","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H37 F9 I N3 O4 S -","- C33 H37 F9 I N3 O4 S -","- C264 H296 F72 I8 N24 O32 S8 -","8","2","","Nambu, Ryoga; Kikuchi, Jun; Matsumoto, Arimasa; Yoshikai, Naohiko","Carbon-iodine atropisomerism on triazole and triazolium frameworks: a breathing axle with divergent adaptivity.","Chemical science","2026","17","12","6109","6115","10.1039/d5sc09936f","","","0.71073","MoKα","","0.0428","0.0363","","","0.0877","0.0914","","","","","","1.053","","","","has coordinates,has disorder","305174","2026-03-25","23:29:37",""
"1576968","13.07355","0.00016","16.114","0.0002","16.95238","0.00019","63.4079","0.0012","75.5952","0.001","76.6091","0.0011","3063.18","0.07","153","","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H70 Cl2 F12 I2 N6 O2 -","- C63 H70 Cl2 F12 I2 N6 O2 -","- C126 H140 Cl4 F24 I4 N12 O4 -","2","1","","Nambu, Ryoga; Kikuchi, Jun; Matsumoto, Arimasa; Yoshikai, Naohiko","Carbon-iodine atropisomerism on triazole and triazolium frameworks: a breathing axle with divergent adaptivity.","Chemical science","2026","17","12","6109","6115","10.1039/d5sc09936f","","","0.71073","MoKα","","0.0444","0.0392","","","0.1055","0.1107","","","","","","1.034","","","","has coordinates,has disorder","305174","2026-03-25","23:29:37",""
"1577004","11.4719","0.0005","4.6982","0.0002","9.1703","0.0004","90","","113.104","0.005","90","","454.61","0.04","100.15","","100.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H7 F4 N4 O Sb -","- C4 H7 F4 N4 O Sb -","- C8 H14 F8 N8 O2 Sb2 -","2","1","","Wang, Zhi-Xiang; Hu, Chun-Li; Sun, Chuan-Fu; Mao, Jiang-Gao; Kong, Fang","From centrosymmetric (C<sub>4</sub>H<sub>8</sub>N<sub>5</sub>)(SbF<sub>4</sub>) to polar (C<sub>4</sub>H<sub>7</sub>N<sub>4</sub>O)(SbF<sub>4</sub>): a new UV nonlinear optical material achieved by functional group modulation.","Chemical science","2026","17","13","6586","6592","10.1039/d5sc09256f","","","0.71073","MoKα","","0.0171","0.017","","","0.0395","0.0396","","","","","","1.053","","","","has coordinates","305241","2026-04-01","22:16:10",""
"1577005","5.0998","0.0003","9.4607","0.0005","10.3378","0.0006","68.33","0.005","77.847","0.005","85.276","0.005","453.13","0.05","294.21","0.1","294.21","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 F4 N5 Sb -","- C4 H8 F4 N5 Sb -","- C8 H16 F8 N10 Sb2 -","2","1","","Wang, Zhi-Xiang; Hu, Chun-Li; Sun, Chuan-Fu; Mao, Jiang-Gao; Kong, Fang","From centrosymmetric (C<sub>4</sub>H<sub>8</sub>N<sub>5</sub>)(SbF<sub>4</sub>) to polar (C<sub>4</sub>H<sub>7</sub>N<sub>4</sub>O)(SbF<sub>4</sub>): a new UV nonlinear optical material achieved by functional group modulation.","Chemical science","2026","17","13","6586","6592","10.1039/d5sc09256f","","x-ray","0.71073","MoKα","","0.0217","0.0203","","","0.0497","0.0504","","","","","","1.065","","","","has coordinates","305241","2026-04-01","22:16:10",""
"1577006","16.998","0.004","25.266","0.006","9.438","0.002","90","","100.817","0.007","90","","3981.3","1.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H38 Cl4 N2 Pd -","- C47 H38 Cl4 N2 Pd -","- C188 H152 Cl16 N8 Pd4 -","4","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0536","0.0388","","","0.0765","0.0924","","","","","","1.168","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577007","9.2138","0.0012","10.642","0.0013","19.819","0.003","82.03","0.004","89.918","0.004","81.439","0.004","1902.7","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","2","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","1.54178","CuKα","K-L~2,3~","0.0432","0.0408","","","0.0901","0.094","","","","","","0.999","","","","has coordinates","305242","2026-04-01","22:16:42",""
"1577008","18.261","0.006","9.757","0.004","40.853","0.014","90","","93.968","0.017","90","","7261","5","173","2","173","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C48 H41 N2 -","- C48 H41 N2 -","- C384 H328 N16 -","8","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","1.54178","CuKα","K-L~2,3~","0.0646","0.054","","","0.1112","0.1218","","","","","","1.149","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577009","10.1901","0.0004","21.5445","0.0011","35.5333","0.0018","90","","93.017","0.002","90","","7790.2","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H43 Cl N2 Pd -","- C54 H43 Cl N2 Pd -","- C324 H258 Cl6 N12 Pd6 -","6","3","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0373","0.0317","","","0.0732","0.0785","","","","","","1.072","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577010","10.2314","0.0003","12.158","0.0004","17.7859","0.0006","96.123","0.002","101.349","0.001","96.337","0.002","2137.14","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 Cl5 N2 O2 Rh -","- C49 H38 Cl5 N2 O2 Rh -","- C98 H76 Cl10 N4 O4 Rh2 -","2","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0507","0.0393","","","0.0831","0.09","","","","","","1.093","","","","has coordinates","305242","2026-04-01","22:16:42",""
"1577011","19.961","0.003","21.323","0.003","9.0723","0.0012","90","","90","","90","","3861.4","0.9","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C46 H34 Ag F3 N2 O3 S -","- C46 H34 Ag F3 N2 O3 S -","- C184 H136 Ag4 F12 N8 O12 S4 -","4","0.5","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0698","0.0481","","","0.098","0.1142","","","","","","1.105","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577012","11.1976","0.0011","17.9673","0.0014","19.1187","0.0019","90","","104.901","0.003","90","","3717.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H35 F3 N2 O3 S -","- C46 H35 F3 N2 O3 S -","- C184 H140 F12 N8 O12 S4 -","4","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0529","0.0449","","","0.0948","0.1016","","","","","","1.064","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577013","44.633","0.011","11.005","0.003","32.902","0.008","90","","100.734","0.009","90","","15878","7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H36 Au Cl3 N2 -","- C46 H36 Au Cl3 N2 -","- C736 H576 Au16 Cl48 N32 -","16","2","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.0471","0.0386","","","0.0903","0.0966","","","","","","1.116","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577014","14.7137","0.0005","15.6695","0.0005","17.6042","0.0006","73.027","0.002","89.57","0.002","73.558","0.001","3710.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H34 Al F36 Ga N2 O4 -","- C61 H34 Al F36 Ga N2 O4 -","- C122 H68 Al2 F72 Ga2 N4 O8 -","2","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.1279","0.0952","","","0.2699","0.3101","","","","","","1.024","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"1577015","14.738","0.0008","15.5714","0.0007","17.6595","0.0009","73.104","0.002","89.999","0.002","71.633","0.002","3661.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H34 Al F36 Li N2 O4 -","- C60.996 H34 Al F35.991 Li N2 O3.999 -","- C121.992 H68 Al2 F71.982 Li2 N4 O7.998 -","2","1","","Zapf, Ludwig; Rivard, Eric","Achieving (quasi)-monocoordination in metal complexes with an exceptionally bulky carbene ligand.","Chemical science","2026","17","13","6500","6506","10.1039/d5sc09514j","","x-ray","0.71073","MoKα","K-L~2,3~","0.122","0.0835","","","0.1666","0.1878","","","","","","1.159","","","","has coordinates,has disorder","305242","2026-04-01","22:16:42",""
"2300527","7.558","","8.536","","5.042","","90","","95.4","","90","","323.841","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Zn.70 Fe.30)3 (P O4)2","","- Fe0.9 O8 P2 Zn2.1 -","- Fe0.9 O8 P2 Zn2.1 -","- Fe1.8 O16 P4 Zn4.2 -","2","0.5","","Nord, A.G.","Use of the Rietveld technique for estimating cation distributions","Journal of Applied Crystallography","1984","17","","55","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310078","4.147","","4.147","","4.147","","90","","90","","90","","71.318","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Ti3 -","- Au Ti3 -","- Au Ti3 -","1","0.0208333","","Laves, F.; von Philipsborn, H.","The influence of impurities on the formation of the Cu3 Au - type structure from the Cr3 Si - type","Acta Crystallographica (1,1948-23,1967)","1964","17","","213","214","10.1107/S0365110X64000548","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310079","3.964","","3.964","","3.964","","90","","90","","90","","62.288","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au V3 -","- Au V3 -","- Au V3 -","1","0.0208333","","Laves, F.; von Philipsborn, H.","The influence of impurities on the formation of the Cu3 Au - type structure from the Cr3 Si - type","Acta Crystallographica (1,1948-23,1967)","1964","17","","213","214","10.1107/S0365110X64000548","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310085","9.188","","3.954","","6.479","","90","","97.56","","90","","233.332","","","","","","","","","","","","","2","P 1","P 1","1","","","","- Au5 Mn2 -","- Au5 Mn2 -","- Au10 Mn4 -","2","2","","Humble, S.G.","Establishment of an ordered phase of composition Au5 Mn2 in the gold-manganese system","Acta Crystallographica (1,1948-23,1967)","1964","17","","1485","1486","10.1107/S0365110X64003723","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310093","4.573","","4.573","","14.23","","90","","90","","120","","257.714","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cr (B O3)","","- B Cr O3 -","- B Cr O3 -","- B6 Cr6 O18 -","6","0.166667","","Schmid, H.","X-ray evidence for Cr B O3, V B O3 and Ti B O3 with calcite structure","Acta Crystallographica (1,1948-23,1967)","1964","17","","1080","1081","10.1107/S0365110X64002778","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310095","4.573","","4.573","","14.32","","90","","90","","120","","259.344","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","V (B O3)","","- B O3 V -","- B O3 V -","- B6 O18 V6 -","6","0.166667","","Schmid, H.","X-ray evidence for CrBO3, VBO3 and TiBO3 with calcite structure","Acta Crystallographica (1,1948-23,1967)","1964","17","","1080","1081","10.1107/S0365110X64002778","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310101","14.57","","7.32","","4.22","","90","","90","","90","","450.073","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Fe1.1 Cr0.9 B0.9","","- B0.9 Cr0.9 Fe1.1 -","- B0.9 Cr0.9 Fe1.1 -","- B14.4 Cr14.4 Fe17.6 -","16","0.5","","Brown, B.E.; Beerntsen, D.J.","Refinement of an iron chromium boride with the Mn4 B structure","Acta Crystallographica (1,1948-23,1967)","1964","17","","448","450","10.1107/S0365110X64001001","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310164","2.848","","2.848","","3.863","","90","","90","","90","","31.333","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","Iridium niobium","","- Ir Nb -","- Ir Nb -","- Ir Nb -","","","","Giessen, B. C.; Grant, N. J.","New intermediate phases in system of Nb or Ta with Rh, Ir, Pd, or Pt","Acta Crystallographica","1964","17","5","615","616","10.1107/s0365110x64001438","","","","","","","","","","","","","","","","","","","","","has coordinates","200781","2020-10-21","18:00:00",""
"2310169","3.73","","3.73","","3.73","","90","","90","","90","","51.895","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ni0.52 Pd0.48)","","- Ni0.52 Pd0.48 -","- Ni0.525 Pd0.475 -","- Ni2.1 Pd1.9 -","4","0.0208333","","Bidwell, L.R.","Unit-cell dimensions of Ni-Pd alloys at 25 and 900 degr. C","Acta Crystallographica (1,1948-23,1967)","1964","17","","1473","1474","","","","","","","","","","","","","","","","","","","","","","has coordinates","141244","2020-10-21","18:00:00",""
"2310191","7.33","","7.33","","5.93","","90","","90","","90","","318.612","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Pd Th2 -","- Pd Th2 -","- Pd4 Th8 -","4","0.125","","Ferro, R.; Capelli, R.","The phase C16 type in the thorium-palladium alloy system","Acta Crystallographica (1,1948-23,1967)","1964","17","","64","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310199","5.486","","13.602","","4.845","","90","","90","","90","","361.537","","","","","","","","","","","","","2","P m m n :1","P 2 2ab -1ab","59","","","","- Nb Pd3 -","- Nb Pd3 -","- Nb6 Pd18 -","6","0.75","","Giessen, B.C.; Grant, N.J.","New intermediate phases in systems of Nb or Ta with Rh, Ir, Pd, or Pt","Acta Crystallographica (1,1948-23,1967)","1964","17","","615","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310200","27.33","","5.537","","4.87","","90","","90.53","","90","","736.927","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Nb Pt3 -","- Nb Pt3 -","- Nb12 Pt36 -","12","3","","Giessen, B.C.; Grant, N.J.","New intermediate phases in systems of Nb or Ta with Rh, Ir, Pd, or Pt","Acta Crystallographica (1,1948-23,1967)","1964","17","","615","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310201","3.94","","3.94","","3.94","","90","","90","","90","","61.163","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Nb0.2 Pt0.8)","","- Nb0.2 Pt0.8 -","- Nb0.2 Pt0.8 -","- Nb0.8 Pt3.2 -","4","0.0208333","","Giessen, B.C.; Grant, N.J.","New intermediate phases in systems of Nb or Ta with Rh, Ir, Pd, or Pt","Acta Crystallographica (1,1948-23,1967)","1964","17","","615","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","141420","2020-10-21","18:00:00",""
"2310202","2.842","","2.842","","3.809","","90","","90","","90","","30.765","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Nb Rh -","- Nb Rh -","- Nb Rh -","1","0.0625","","Giessen, B.C.; Grant, N.J.","New intermediate phases in systems of Nb or Ta with Rh, Ir, Pd, or Pt","Acta Crystallographica (1,1948-23,1967)","1964","17","","615","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310242","5.594","","5.594","","5.594","","90","","90","","90","","175.052","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Hf Sn -","- Hf Sn -","- Hf4 Sn4 -","4","0.333333","","Schob, O.; Parthe, E.","The structure of Hf Sn","Acta Crystallographica (1,1948-23,1967)","1964","17","","452","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310250","9.615","","9.615","","4.941","","90","","90","","90","","456.787","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Mo1.95 Os1.05 -","- Mo1.95 Os1.05 -","- Mo19.5 Os10.5 -","10","0.625","","Spooner, F.J.; Wilson, C.G.","Ordering in binary sigma phases","Acta Crystallographica (1,1948-23,1967)","1964","17","","1533","1538","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310251","9.858","","9.858","","5.063","","90","","90","","90","","492.023","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Nb3 Os2 -","- Nb3 Os2 -","- Nb18 Os12 -","6","0.375","","Spooner, F.J.; Wilson, C.G.","Ordering in binary sigma phases","Acta Crystallographica (1,1948-23,1967)","1964","17","","1533","1538","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310252","9.789","","9.789","","5.099","","90","","90","","90","","488.609","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Nb2.7 Re3.3 -","- Nb2.7008 Re3.2992 -","- Nb13.504 Re16.496 -","5","0.3125","","Spooner, F.J.; Wilson, C.G.","Ordering in binary sigma phases","Acta Crystallographica (1,1948-23,1967)","1964","17","","1533","1538","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310253","9.631","","9.631","","4.957","","90","","90","","90","","459.792","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Ir0.88 Mo2.12 -","- Ir0.8496 Mo2.1504 -","- Ir8.496 Mo21.504 -","10","0.625","","Spooner, F.J.; Wilson, C.G.","Ordering in binary sigma phases","Acta Crystallographica (1,1948-23,1967)","1964","17","","1533","1538","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310254","9.86","","9.86","","5.05","","90","","90","","90","","490.959","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Ir2 Nb3 -","- Ir2 Nb2.93333 -","- Ir12 Nb17.6 -","6","0.375","","Spooner, F.J.; Wilson, C.G.","Ordering in binary sigma phases","Acta Crystallographica (1,1948-23,1967)","1964","17","","1533","1538","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310255","9.693","","9.693","","9.693","","90","","90","","90","","910.699","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","(Nb Re3)14.5","","- Nb14.5 Re43.5 -","- Nb14.512 Re43.488 -","- Nb14.512 Re43.488 -","1","0.0208333","","Steadman, R.; Nuttall, P.M.","Chi phase in a niobium-rhenium alloy","Acta Crystallographica (1,1948-23,1967)","1964","17","","62","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","143252","2020-10-21","18:00:00",""
"2310257","7.249","","4.571","","5.856","","90","","90","","90","","194.04","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pd Th -","- Pd Th -","- Pd4 Th4 -","4","0.5","","Thomson, J.R.","The crystal structure of Th Pd","Acta Crystallographica (1,1948-23,1967)","1964","17","","64","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310259","12.578","","12.578","","12.578","","90","","90","","90","","1989.92","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Gd6 Mn23 -","- Gd6 Mn23 -","- Gd24 Mn92 -","4","0.0208333","","Wang, F.E.; Gilfrich, J.V.; Hubbard, W.M.; Ernst, D.W.","Report on the crystal structure of Gd6 Mn23","Acta Crystallographica (1,1948-23,1967)","1964","17","","931","932","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310268","3.918","","3.918","","3.918","","90","","90","","90","","60.144","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt V3 -","- Pt V3 -","- Pt V3 -","1","0.0208333","","von Philipsborn, H.; Laves, F.","The influence of impurities on the formation of the Cu3 Au- type structure from the Cr3 Si-type","Acta Crystallographica (1,1948-23,1967)","1964","17","","213","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310304","10.73","","10.73","","5.383","","90","","90","","90","","619.76","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ce Co3 Pu4 -","- Ce Co3 Pu4 -","- Ce4 Co12 Pu16 -","4","0.125","","Larson, A.C.; Roof, R.B.jr.; Cromer, D.T.","The crystal structure of phase C in the ternary system Ce-Pu-Co","Acta Crystallographica (1,1948-23,1967)","1964","17","","1382","1386","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310316","4.24","","4.24","","95.69","","90","","90","","120","","1489.8","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","Cd I2","","- Cd0.142857 I2 -","- Cd0.142857 I2 -","- Cd2 I28 -","14","2.33333","","Srivastava, O.N.; Verma, A.R.","Studies on a new polytype of cadmium iodide 28Hc","Acta Crystallographica (1,1948-23,1967)","1964","17","","260","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","146274","2020-10-21","18:00:00",""
"2310338","5.606","","7.438","","8.683","","90","","90.45","","90","","362.048","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","B F3 (H2 O)2","","- B F3 H4 O2 -","- B F3 H4 O2 -","- B4 F12 H16 O8 -","4","1","","Bang, W. B.; Carpenter, G. B.","The Crystal Structure of Boron Trifluoride Dihydrate","Acta Crystallographica","1964","17","6","742","745","10.1107/s0365110x64001815","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310343","4.779","","7.795","","7.82","","90","","90","","90","","291.313","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Sr Zn2 -","- Sr Zn2 -","- Sr4 Zn8 -","4","0.25","","Bergman, B.G.; Shlichta, P.J.","The structure of Sr Zn2","Acta Crystallographica (1,1948-23,1967)","1964","17","","65","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310432","12.73","","10.75","","8.43","","90","","126.333","","90","","929.345","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","U F4","","- F4 U -","- F4 U -","- F48 U12 -","12","1.5","","Larson, A.C.; Roof, R.B.jr.; Cromer, D.T.","The crystal structure of U F4","Acta Crystallographica (1,1948-23,1967)","1964","17","","555","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310441","9.02","","9.02","","13.685","","90","","90","","90","","1113.42","","","","","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","Na Sn2 F5","","- F5 Na Sn2 -","- F5 Na Sn2 -","- F40 Na8 Sn16 -","8","0.5","","McDonald, R.R.; Larson, A.C.; Cromer, D.T.","The Crystal Structure of Sodium Pentafluorodistannate(II), Na Sn2 F5","Acta Crystallographica (1,1948-23,1967)","1964","17","","1104","1108","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310462","6.772","","17.50999","","7.744","","90","","94.3","","90","","915.681","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Sr (Al1.98 Si6.02 O16) (H2 O)4.9","","- Al1.98 H9.8 O20.9 Si6.02 Sr -","- Al1.98 O20.9 Si6.02 Sr -","- Al3.96 O41.8 Si12.04 Sr2 -","2","0.5","","Perrotta, A.J.; Smith, J.V.","The crystal structure of brewsterite, (Sr, Ba, Ca) Al2 Si6 O16 (H2 O)5","Acta Crystallographica (1,1948-23,1967)","1964","17","","857","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310491","7.773","","7.54","","7.44","","90","","124.25","","90","","360.432","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cr2 F5 -","- Cr2 F5 -","- Cr8 F20 -","4","0.5","","Steinfink, H.; Burns, J.","The Crystal Structure of Cr2 F5","Acta Crystallographica (1,1948-23,1967)","1964","17","","823","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310500","7.846","","7.846","","3.877","","90","","90","","90","","238.667","","","","","","","","","","","","","4","P 4/n :1","P 4ab -1ab","85","","Fe F3 (H2 O)3","","- F3 Fe H6 O3 -","- F3 Fe O3 -","- F6 Fe2 O6 -","2","0.25","","Teufer, G.","The crystal structure of beta iron(III) trifluoride trihydrate, beta-Fe F3 (H2 O)3","Acta Crystallographica (1,1948-23,1967)","1964","17","","1480","1480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310518","8.734","","4.118","","7.718","","90","","105.26","","90","","267.803","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cs0.9 (U O2) O Cl0.9","","- Cl0.9 Cs0.9 O3 U -","- Cl0.9 Cs0.9 O3 U -","- Cl1.8 Cs1.8 O6 U2 -","2","0.5","","Allpress, J.G.; Wadsley, A.D.","The Crystal Structure of Cesium Uranyl Oxychloride Cs0.9 (U O2) O Cl0.9","Acta Crystallographica (1,1948-23,1967)","1964","17","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310530","8.99","","9.94","","5.18","","90","","90","","90","","462.888","","","","","","","","","","","","","5","P b n 21","P 2c -2ab","33","","Li (N2 H5) S O4","","- H5 Li N2 O4 S -","- Li N2 O4 S -","- Li4 N8 O16 S4 -","4","1","","Brown, I.D.","The Crystal Structure of Lithium Hydrazinium Sulfate","Acta Crystallographica (1,1948-23,1967)","1964","17","","654","660","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310531","8.56","","12.964","","7.215","","90.65","","115.83","","87.7","","720.071","","","","","","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","K (Al Si3 O8)","","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","","","Brown, B.E.; Bailey, Y.W.","The structure of maximum microcline","Acta Crystallographica (1,1948-23,1967)","1964","17","","1391","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310542","3.61","","3.61","","3.61","","90","","90","","90","","47.046","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Al F3 H2 O -","- Al F3 O0.9999 -","- Al F3 O0.9999 -","1","0.0208333","","Chandross, R.","The Structure of a new phase of aluminium trifluoride monohydrate","Acta Crystallographica (1,1948-23,1967)","1964","17","","1477","1478","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310547","5.553","","11.732","","3.867","","90","","90","","90","","251.927","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Pb N C N","","- C N2 Pb -","- C N2 Pb -","- C4 N8 Pb4 -","4","1","","Cooper, M.J.","The Structures of Some Inorganic Cyanamides. II. The Structure of Lead Cyanamide","Acta Crystallographica (1,1948-23,1967)","1964","17","","1452","1456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310548","7.67","","7.67","","7.67","","90","","90","","90","","451.218","","","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","Tl3 Ta S4","","- S4 Ta Tl3 -","- S4 Ta Tl3 -","- S8 Ta2 Tl6 -","2","0.0416667","","Crevecoeur, C.","Some ternary thallium chalcogenides","Acta Crystallographica (1,1948-23,1967)","1964","17","","757","757","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310550","5.625","","3.249","","10.98","","90","","90","","90","","200.666","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","U Mo C2","","- C2 Mo U -","- C2 Mo U -","- C8 Mo4 U4 -","4","0.5","","Cromer, D.T.; Larson, A.C.; Roof, R.B.jr.","The crystal structure of U Mo C2","Acta Crystallographica (1,1948-23,1967)","1964","17","","272","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310551","11.409","","11.409","","5.448","","90","","90","","90","","709.14","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Pu5 Si3 -","- Pu5 Si3 -","- Pu20 Si12 -","4","0.125","","Cromer, D.T.; Larson, A.C.; Roof, R.B.jr.","The Crystal Structure of Pu5 Si3","Acta Crystallographica (1,1948-23,1967)","1964","17","","947","950","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310552","17.93","","6.96","","14.85","","90","","118.52","","90","","1628.29","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Na4 (P2 O7) (H2 O)10","","- H20 Na4 O17 P2 -","- Na4 O17 P2 -","- Na16 O68 P8 -","4","0.5","","Cruickshank, D.W.J.","Refinements of structures containing bonds between Si, P, S or Cl and O or N.","Acta Crystallographica (1,1948-23,1967)","1964","17","","672","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310553","16","","5.24","","11.25","","90","","93","","90","","941.907","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na5 (P3 O10)","","- Na5 O10 P3 -","- Na5 O10 P3 -","- Na20 O40 P12 -","4","0.5","","Cruickshank, D.W.J.","Refinements of structures containing bonds between Si, P, S or Cl and O or N. III. Na5 P3 O10, phase II","Acta Crystallographica (1,1948-23,1967)","1964","17","","674","675","","","","","","","","","","","","","","","","","","","","","","has coordinates","150623","2020-10-21","18:00:00",""
"2310554","10.42","","10.82","","12.78","","90","","90","","90","","1440.87","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(N H4)4 P4 O12","","- H16 N4 O12 P4 -","- H16 N4 O12 P4 -","- H64 N16 O48 P16 -","4","","","Cruickshank, D.W.J.","Refinements of Structures Containing Bonds between Si, P, S or Cl and O or N. IV. (N H4)4 P4 O12","Acta Crystallographica (1,1948-23,1967)","1964","17","","675","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310555","7.43","","7.43","","7.43","","87","","87","","87","","408.543","","","","","","","","","","","","","2","R 3 c :R","P 3* -2n","161","","P4 O10","","- O10 P4 -","- O10 P4 -","- O20 P8 -","2","0.333333","","Cruickshank, D.W.J.","Refinements of structures containing bonds between Si, P, S or Cl and O or N","Acta Crystallographica (1,1948-23,1967)","1964","17","","677","679","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310556","9.23","","7.18","","4.94","","90","","90","","90","","327.381","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","P2 O5","","- O5 P2 -","- O5 P2 -","- O20 P8 -","4","0.5","","Cruickshank, D.W.J.","Refinements of Structures Containing Bonds between Si, P, S or Cl and O or N. VI. P2 O5, Form III","Acta Crystallographica (1,1948-23,1967)","1964","17","","679","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310557","12.123","","4.228","","6.479","","90","","96.32","","90","","330.07","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Rb (P O3)","","- O3 P Rb -","- O3 P Rb -","- O12 P4 Rb4 -","4","1","","Cruickshank, D.W.J.","Refinements of structures containing bonds between Si, P, S or Cl and O or N. VII. (Rb P O3)x","Acta Crystallographica (1,1948-23,1967)","1964","17","","681","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310558","19.54","","7.3","","7.56","","90","","102","","90","","1054.81","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","(N O2)2 S3 O10","","- N2 O14 S3 -","- N2 O14 S3 -","- N8 O56 S12 -","4","1","","Cruickshank, D.W.J.","Refinements of Structures Containing Bonds between Si, P, S or Cl and O or N. IX. (N O2 2 S3 O10)","Acta Crystallographica (1,1948-23,1967)","1964","17","","684","685","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"2310563","5.43","","9.4","","10.32","","90","","100","","90","","518.751","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","K Fe3 (Fe Si3 O10) (O H)2","","- Fe4 H2 K O12 Si3 -","- Fe4 K O12 Si3 -","- Fe8 K2 O24 Si6 -","2","0.25","","Donnay, G.; Takeda, H.; Morimoto, N.; Donnay, J.D.H.","Trioctahedral one-layer micas. I. Crystal structure of a synthetic iron mica","Acta Crystallographica (1,1948-23,1967)","1964","17","","1369","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310564","11.71","","6.8","","9.28","","90","","107.6","","90","","704.358","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Fe (C O)5","","- C5 Fe O5 -","- C5 Fe O5 -","- C20 Fe4 O20 -","4","0.5","","Donohue, J.; Caron, A.","The crystal structure of iron pentacarbonyl: Space group and refinement of the structure","Acta Crystallographica (1,1948-23,1967)","1964","17","","663","667","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310567","4.705","","4.705","","6.505","","90","","90","","120","","124.709","","","","","","","","","","","","","3","P 64 2 2","P 64 2 (0 0 2)","181","","Ti0.9 Re0.1 Si2","","- Re0.1 Si2 Ti0.9 -","- Re0.1 Si2 Ti0.9 -","- Re0.3 Si6 Ti2.7 -","3","0.25","","Duffin, W.J.; Parthe, E.; Norton, J.T.","The Structure of (Ti, Re) Si2","Acta Crystallographica (1,1948-23,1967)","1964","17","","450","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310570","9.68","","11.31","","6.33","","100","","73.3","","101.5","","645.441","","","","","","","","","","","","","4","P -1","-P 1","2","","K2 W2 O11 (H2 O)4","","- H8 K2 O15 W2 -","- K2 O15 W2 -","- K4 O30 W4 -","2","1","","Einstein, F.W.B.; Penfold, B.R.","The Crystal Structure of Hydrated Potassium Tetraperoxyditungstate(VI)","Acta Crystallographica (1,1948-23,1967)","1964","17","","1127","1133","","","","","","","","","","","","","","","","","","","","","","has coordinates","150714","2020-10-21","18:00:00",""
"2310573","14","","14","","10.81","","90","","90","","90","","2118.76","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","P (C N)3","","- C3 N3 P -","- C3 N3 P -","- C48 N48 P16 -","16","1","","Emerson, K.; Britton, D.","The crystal and molecular structure of phosphorus tricyanide","Acta Crystallographica (1,1948-23,1967)","1964","17","","1134","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310578","9.219","","9.219","","14.554","","90","","90","","90","","1236.94","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Cs3 (Co Cl4) Cl","","- Cl5 Co Cs3 -","- Cl5 Co Cs3 -","- Cl20 Co4 Cs12 -","4","0.125","","Figgis, B.N.; Gerloch, M.; Mason, R.","A least-squares refinement of the crystal structure of tricesium pentachlorocobalt(II), Cs3 Co Cl5","Acta Crystallographica (1,1948-23,1967)","1964","17","","506","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310581","21.16","","3.822","","19.35","","90","","119.83","","90","","1357.56","","","","","","","","","","","","","2","P 1 2 1","P 2y","3","","","","- Nb2 O5 -","- Nb2 O5 -","- Nb28 O70 -","14","7","","Gatehouse, B.M.; Wadsley, A.D.","The crystal structure of the high temperature form of niobium pentoxide","Acta Crystallographica (1,1948-23,1967)","1964","17","","1545","1554","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310603","7.51","","11.25","","7.5","","90","","100.87","","90","","622.287","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","K4 H4 (Si4 O12)","","- H4 K4 O12 Si4 -","- K4 O12 Si4 -","- K8 O24 Si8 -","2","0.5","","Hilmer, W.","Die Kristallstruktur des sauren Kaliummetasilikates K4 (H Si O3)4","Acta Crystallographica (1,1948-23,1967)","1964","17","","1063","1066","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310608","5.245","","10.778","","18.017","","90","","90","","90","","1018.51","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na Co2.31 (Mo O4)3","","- Co2.31 Mo3 Na O12 -","- Co2.31 Mo3 Na O12 -","- Co9.24 Mo12 Na4 O48 -","4","0.5","","Ibers, J.A.; Smith, G.W.","Crystal Structure of a Sodium Cobalt Molybdate","Acta Crystallographica (1,1948-23,1967)","1964","17","","190","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310609","3.9962","","3.9962","","11.287","","90","","90","","90","","180.249","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- Cu2 S -","- Cu2 S -","- Cu8 S4 -","4","0.5","","Janosi, A.","La structure du cuivreux quadratique","Acta Crystallographica (1,1948-23,1967)","1964","17","","311","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310610","9.37","","14.79","","7.3","","90","","90","","90","","1011.65","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Na2 H2 (P4 O12)","","- H2 Na2 O12 P4 -","- Na2 O12 P4 -","- Na8 O48 P16 -","4","0.5","","Jarchow, O.","Die Strukturverfeinerung des zweidimensional fehlgeordneten Natriummetaphosphates, Na2 H2 P4 O12","Acta Crystallographica (1,1948-23,1967)","1964","17","","1253","1262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310614","6.83","","6.83","","6.83","","90","","90","","90","","318.612","","","","","","","","","","","","","1","P m -3 n","-P 4n 2 3","223","","","","- O2 -","- O2 -","- O16 -","8","0.166667","","Jordan, T.H.; Streib, W.E.; Lipscomb, W.N.; Smith, H.W.","Single-crystal studies of beta-F2 and of gamma-O2","Acta Crystallographica (1,1948-23,1967)","1964","17","","777","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310615","7.29","","7.95","","17.28","","90","","90.5","","90","","1001.43","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pb (P O3)2","","- O6 P2 Pb -","- O6 P2 Pb -","- O48 P16 Pb8 -","8","2","","Jost, K.H.","Die Struktur des Bleipolyphosphats (Pb (P O3)2)X und allegemeiner Ueberblick ueber Polyphosphatstrukturen","Acta Crystallographica (1,1948-23,1967)","1964","17","","1539","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310626","4.873","","4.873","","10.94","","90","","90","","120","","224.978","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","N2 H4 H2 O","","- H6 N2 O -","- H6 N2 O -","- H18 N6 O3 -","3","0.5","","Liminga, R.; Olovsson, I.","The Crystal Structure of Hydrazine Monohydrate","Acta Crystallographica (1,1948-23,1967)","1964","17","12","1523","1528","10.1107/S0365110X64003802","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310633","5.4846","","5.4846","","5.4846","","55","","55","","55","","103.088","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Co Ti O3","","- Co O3 Ti -","- Co O3 Ti -","- Co2 O6 Ti2 -","2","0.333333","","Mewnham, R.E.; Fang, J.H.; Santoro, R.P.","Crystal structure and magnetic properties of Co Ti O3","Acta Crystallographica (1,1948-23,1967)","1964","17","","240","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310635","9.279","","12.568","","6.253","","90","","106.82","","90","","698.018","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Zn (N H4)2 (S O4)2 (H2 O)6","","- H20 N2 O14 S2 Zn -","- H20 N2 O14 S2 Zn -","- H40 N4 O28 S4 Zn2 -","2","0.5","","Montgomery, H.; Lingafelter, E.C.","The crystal structure of Tutton's salts. I. Zinc ammonium sulfate hexahydrate","Acta Crystallographica (1,1948-23,1967)","1964","17","","1295","1299","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310644","13.41","","13.41","","13.79","","90","","90","","90","","2479.83","","","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Cu ((N H2)2 C S)3 Cl","","- C3 H12 Cl Cu N6 S3 -","- C3 H12 Cl Cu N6 S3 -","- C24 H96 Cl8 Cu8 N48 S24 -","8","1","","Okaya, Y.; Knobler, C.B.","Refinement of the crystal structure of tris(thiourea) copper(I) chloride","Acta Crystallographica (1,1948-23,1967)","1964","17","","928","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2310647","12.997","","8.031","","10.414","","90","","90","","90","","1087","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","(N3 Co (N H3)5) (N3)2","","- Co H15 N14 -","- Co H15 N14 -","- Co4 H60 N56 -","4","0.5","","Palenik, G.J.","The Structure of Coordination Compounds I. The Crystal and Molecular Structure of Azidopentamminecobalt(III) Azide","Acta Crystallographica (1,1948-23,1967)","1964","17","","360","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310648","8.046","","9.688","","6.261","","90","","90","","90","","488.043","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","H3 B3 O6","","- B3 H3 O6 -","- B3 H3 O6 -","- B12 H12 O24 -","4","0.5","","Peters, C.R.; Milberg, M.E.","The Refined Structure of Orthorhombic Metaboric Acid","Acta Crystallographica (1,1948-23,1967)","1964","17","","229","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310655","5.635","","6.285","","9.919","","90","","90","","90","","351.291","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(U O2) (O H)2","","- H2 O4 U -","- O4 U -","- O16 U4 -","4","0.5","","Roof, R.B.jr.; Cromer, D.T.; Larson, A.C.","The crystal structure of uranyl dihydroxide, U O2 (O H)2","Acta Crystallographica (1,1948-23,1967)","1964","17","","701","705","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310663","10.671","","10.671","","3.6468","","90","","90","","120","","359.627","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- Nb3 Te4 -","- Nb3 Te4 -","- Nb6 Te8 -","2","0.166667","","Selte, K.; Kjekshus, A.","The crystal structures of Nb3 Se4 and Nb3 Te4","Acta Crystallographica (1,1948-23,1967)","1964","17","","1568","1572","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310664","4.941","","4.941","","10.95","","90","","90","","120","","231.513","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Al P O4","","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Sharan, B.; Dutta, B.N.","Atomic Coordinates of Al P O4","Acta Crystallographica (1,1948-23,1967)","1964","17","","82","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310670","7.418","","7.418","","18.39","","90","","90","","120","","876.367","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs Cd Cl3","","- Cd Cl3 Cs -","- Cd Cl3 Cs -","- Cd6 Cl18 Cs6 -","6","0.25","","Siegel, S.; Gebert, E.","The Structures of hexagonal Cs Cd Cl3 and tetragonal Cs2 Cd Cl4","Acta Crystallographica (1,1948-23,1967)","1964","17","","790","790","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310671","5.26","","5.26","","16.88","","90","","90","","90","","467.029","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Cs2 Cd Cl4","","- Cd Cl4 Cs2 -","- Cd Cl4 Cs2 -","- Cd2 Cl8 Cs4 -","2","0.0625","","Siegel, S.; Gebert, E.","The structures of hexagonal Cs Cd Cl3 and tetragonal Cs2 Cd Cl4","Acta Crystallographica (1,1948-23,1967)","1964","17","","790","790","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310683","6.62","","15.59","","11.31","","90","","90.01","","90","","1167.26","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Co2 (C O)8","","- C8 Co2 O8 -","- C8 Co2 O8 -","- C32 Co8 O32 -","4","1","","Sumner, G.G.; Klug, H.P.","The crystal structure of dicobalt octacarbonyl","Acta Crystallographica (1,1948-23,1967)","1964","17","","732","742","","","","","","","","","","","","","","","","","","","","","","has coordinates","151720","2020-10-21","18:00:00",""
"2310684","5.416","","8.964","","7.874","","90","","90","","90","","382.275","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Hg S O4 H2 O","","- H2 Hg O5 S -","- Hg O5 S -","- Hg4 O20 S4 -","4","0.5","","Templeton, L.K.; Zalkin, A.; Templeton, D.H.","Refinement of the Crystal Structure of Mercuric Sulfate Monohydrate","Acta Crystallographica (1,1948-23,1967)","1964","17","","933","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310691","6.459","","3.792","","18.472","","90","","90","","90","","452.426","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ti Nb O5","","- K Nb O5 Ti -","- K Nb O5 Ti -","- K4 Nb4 O20 Ti4 -","4","0.5","","Wadsley, A.D.","Alkali Titanoniobates: The Crystal Structures of K Ti Nb O5 and K Ti3 Nb O9","Acta Crystallographica (1,1948-23,1967)","1964","17","","623","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310692","6.392","","3.785","","14.865","","90","","90","","90","","359.64","","","","","","","","","","","","","4","P n m m :2","-P 2c 2bc","59","","K (Ti3 Nb O9)","","- K Nb O9 Ti3 -","- K Nb O9 Ti3 -","- K2 Nb2 O18 Ti6 -","2","0.25","","Wadsley, A.D.","Alkali titanoniobates: The crystal structures of K Ti Nb O5 and K Ti3 Nb O9","Acta Crystallographica (1,1948-23,1967)","1964","17","","623","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310698","5.72","","3.676","","6.379","","90","","90","","90","","134.129","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mn As","","- As Mn -","- As Mn -","- As4 Mn4 -","4","0.5","","Wilson, R.H.; Kasper, J.S.","The crystal structure of Mn As above 40 C","Acta Crystallographica (1,1948-23,1967)","1964","17","","95","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310699","7.24","","11.465","","9.35","","90","","90","","90","","776.112","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(N H4)2 (H2 P2 O6)","","- H10 N2 O6 P2 -","- N2 O6 P2 -","- N8 O24 P8 -","4","0.5","","Wilson, A.; McGeachin, H.M.","The crystal structure of diammonium dihydrogen hypophosphate (N H4)2 H2 P2 O6","Acta Crystallographica (1,1948-23,1967)","1964","17","","1352","1355","","","","","","","","","","","","","","","","","","","","","","has coordinates","151898","2020-10-21","18:00:00",""
"2310701","5.838","","4.348","","6.449","","90","","115.12","","90","","148.216","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Li (B O2)","","- B Li O2 -","- B Li O2 -","- B4 Li4 O8 -","4","1","","Zachariasen, W.H.","The crystal structure of lithium metaborate","Acta Crystallographica (1,1948-23,1967)","1964","17","","749","751","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310890","4.705","","4.705","","6.505","","90","","90","","120","","124.709","","","","","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","(Re Ti9 Si20)0.3","","- Re0.3 Si6 Ti2.7 -","- Re0.3 Si6 Ti2.7 -","- Re0.3 Si6 Ti2.7 -","1","0.0833333","","Duffin, W.J.; Parthe, E.; Norton, J.T.","The structure of (Ti, Re) Si2","Acta Crystallographica (1,1948-23,1967)","1964","17","","450","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310905","4.027","","4.027","","3.863","","90","","90","","90","","62.645","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Ir Nb -","- Ir Nb -","- Ir2 Nb2 -","2","0.125","","Giessen, B.C.; Grant, N.J.","New intermediate phases in systems of Nb with Rh, Ir, Pd, or Pt","Acta Crystallographica (1,1948-23,1967)","1964","17","","615","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310906","5.537","","4.87","","27.33","","90","","90","","90","","736.959","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Nb Pt3 -","- Nb Pt3 -","- Nb12 Pt36 -","12","3","","Giessen, B.C.; Grant, N.J.","New intermediate phases in systems of Nb with Rh, Ir, Pd, or Pt","Acta Crystallographica (1,1948-23,1967)","1964","17","","615","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311013","10.2","","10.2","","13.5","","90","","90","","120","","1216.37","","","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","P2 O5","","- O5 P2 -","- O5 P2 -","- O60 P24 -","12","0.666667","","Cruickshank, D.W.J.","Refinements of structures containing bonds between Si, P, S or Cl and O or N. V. P4 O10","Acta Crystallographica (1,1948-23,1967)","1964","17","","677","679","","","","","","","","","","","","","","","","","","","","","","has coordinates","168926","2020-10-21","18:00:00",""
"2311055","3.87","","3.87","","18.95","","90","","90","","120","","245.789","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","(Cu5 Fe S4)1.4","","- Cu6.9984 Fe1.3968 S5.598 -","- Cu6.9984 Fe1.3968 S5.598 -","- Cu6.9984 Fe1.3968 S5.598 -","1","0.0555556","","Morimoto, N.","Structures of two polymorphic forms of Cu5 Fe S4","Acta Crystallographica (1,1948-23,1967)","1964","17","","351","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","172536","2020-10-21","18:00:00",""
"2311058","3.078","","3.078","","90.65","","90","","90","","120","","743.765","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","Si C","","- C Si -","- C Si -","- C36 Si36 -","36","6","","Krishna, P.; Verma, A.R.","A novel determination of the structure of an anomalous polytype of silicon carbide","Acta Crystallographica (1,1948-23,1967)","1964","17","","51","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4000498","27.646","0.002","27.646","0.002","17.0885","0.0014","90","","90","","90","","13060.8","1.8","293","2","293","2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C4.5 H15 F2 Ge6.44 N1.5 O17 Si0.56 -","- C4.5 H15.5 F2 Ge6.438 N1.5 O17 Si0.57 -","- C72 H248 F32 Ge103.008 N24 O272 Si9.12 -","16","1","","Tang, Liqiu; Dadachov, Mike S.; Zou, Xiaodong","SU-12: A Silicon-Substituted ASU-16 with Circular 24-Rings and Templated by a Monoamine","Chemistry of Materials","2005","17","10","2530","2536","10.1021/cm049373f","","","0.71073","MoKα","","0.057","0.0512","","","0.143","0.1487","","","","","","1.078","","","","has coordinates","178240","2020-10-21","18:00:00",""
"4000499","7.0538","0.0005","7.0538","0.0005","12.9625","0.0014","90","","90","","120","","558.55","0.08","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H2 La Na O9 S2 -","- H2 La Na O9 S2 -","- H6 La3 Na3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0471","0.0362","","","0.0694","0.0722","","","","","","0.961","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000500","6.8816","0.0006","6.8816","0.0006","12.7702","0.0017","90","","90","","120","","523.73","0.1","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- Gd H2 Na O9 S2 -","- Gd H2 Na O9 S2 -","- Gd3 H6 Na3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0707","0.0519","","","0.0868","0.0908","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000501","6.968","0.002","6.968","0.002","12.856","0.006","90","","90","","120","","540.6","0.4","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H2 Na Nd O9 S2 -","- H2 Na Nd O9 S2 -","- H6 Na3 Nd3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0379","0.0313","","","0.0542","0.0554","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000502","9.7739","0.001","9.7739","0.001","7.9456","0.0014","90","","90","","120","","657.34","0.15","298","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 La0.72 O12 Sc2.71 Y0.57 -","- B4 La0.72 O12 Sc2.7099 Y0.5701 -","- B12 La2.16 O36 Sc8.1297 Y1.7103 -","3","0.166667","","Ye, Ning; Stone-Sundberg, Jennifer L.; Hruschka, Michael A.; Aka, Gerard; Kong, Wei; Keszler, Douglas A.","Nonlinear Optical Crystal Y~x~La~y~Sc~z~(BO~3~)~4~ (x + y + z = 4)","Chemistry of Materials","2005","17","10","2687","2692","10.1021/cm050090c","","","0.71069","MoKα","","","0.0296","","","","0.0815","","","","","","1.081","","","","has coordinates","178239","2020-10-21","18:00:00",""
"4000503","12.8458","0.001","4.6186","0.001","12.5128","0.001","90","","90","","90","","742.38","0.18","293","2","293","","","","","","","","","3","P m n a","-P 2ac 2","53","Trierbiumpentaborate","Trierbiumpentaborate","","- B5 Er3 O12 -","- B5 Er3 O12 -","- B20 Er12 O48 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0464","0.0252","","","0.0571","0.0651","","","","","","1.033","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000505","4.70557","","4.70557","","3.15451","","90","","90","","90","","69.848","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- Fe0.26 O4 Sb0.26 Sn1.48 -","- Fe0.26 O4 Sb0.26 Sn1.48 -","- Fe0.26 O4 Sb0.26 Sn1.48 -","1","0.0625","","Govorov, V. A.; Abakumov, A. M.; Rozova, M. G.; Borzenko, A. G.; Vassiliev, S. Yu.; Mazin, V. M.; Afanasov, M. I.; Fabritchnyi, P. B.; Tsirlina, G. A.; Antipov, E. V.; Morozova, E. N.; Gippius, A. A.; Ivanov, V. V.; Tendeloo, G. Van","Sn~2-2x~Sb~x~Fe~x~O~4~ Solid Solutions as Possible Inert Anode Materials in Aluminum Electrolysis","Chemistry of Materials","2005","17","11","3004","3011","10.1021/cm048145i","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000511","13.136","0.001","20.139","0.002","41.03","0.003","90","","93.443","0.001","90","","10834.7","1.7","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H168 Mo12 N4 O40 Si -","- C76 H168 Mo12 N4 O40 Si -","- C304 H672 Mo48 N16 O160 Si4 -","4","1","","Nyman, May; Ingersoll, David; Singh, Seema; Bonhomme, François; Alam, Todd M.; Brinker, C. Jeffrey; Rodriguez, Mark A.","Comparative Study of Inorganic Cluster–Surfactant Arrays","Chemistry of Materials","2005","17","11","2885","2895","10.1021/cm0503174","","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000530","4.66455","","4.66455","","3.10913","","90","","90","","90","","67.649","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- Fe0.66 O4 Sb0.66 Sn0.68 -","- Fe0.66 O4 Sb0.66 Sn0.68 -","- Fe0.66 O4 Sb0.66 Sn0.68 -","1","0.0625","","Govorov, V. A.; Abakumov, A. M.; Rozova, M. G.; Borzenko, A. G.; Vassiliev, S. Yu.; Mazin, V. M.; Afanasov, M. I.; Fabritchnyi, P. B.; Tsirlina, G. A.; Antipov, E. V.; Morozova, E. N.; Gippius, A. A.; Ivanov, V. V.; Tendeloo, G. Van","Sn~2-2x~Sb~x~Fe~x~O~4~ Solid Solutions as Possible Inert Anode Materials in Aluminum Electrolysis","Chemistry of Materials","2005","17","11","3004","3011","10.1021/cm048145i","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000531","12.5","0.02","14.17","0.01","15.8","0.02","62.01","0.09","82.3","0.1","76.7","0.1","2405.1","0.5","193.1","","","","","","","","","","","5","P -1","-P 1","2","A dizinc complex of tBu-salen with methanol","","","- C49 H64 N4 O5 Zn2 -","- C49 H64 N4 O5 Zn2 -","- C98 H128 N8 O10 Zn4 -","2","1","","Mizukami, Shin; Houjou, Hirohiko; Sugaya, Kenta; Koyama, Emiko; Tokuhisa, Hideo; Sasaki, Takeshi; Kanesato, Masatoshi","Fluorescence Color Modulation by Intramolecular and Intermolecular π–π Interactions in a Helical Zinc(II) Complex","Chemistry of Materials","2005","17","1","50","56","10.1021/cm049744s","","","0.7107","MoKα","","","0.076","","","","0.185","","","","","","1.142","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000537","15.307","0.006","19.782","0.006","16.817","0.007","90","","99.73","0.04","90","","5019","0.3","193.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 N4 O5 Zn2 -","- C52 H68 N4 O5 Zn2 -","- C208 H272 N16 O20 Zn8 -","4","1","","Mizukami, Shin; Houjou, Hirohiko; Sugaya, Kenta; Koyama, Emiko; Tokuhisa, Hideo; Sasaki, Takeshi; Kanesato, Masatoshi","Fluorescence Color Modulation by Intramolecular and Intermolecular π–π Interactions in a Helical Zinc(II) Complex","Chemistry of Materials","2005","17","1","50","56","10.1021/cm049744s","","","0.7107","MoKα","","","0.049","","","","0.101","","","","","","0.811","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000541","5.257","0.0006","11.4464","0.0014","11.561","0.0014","101.616","0.002","99.158","0.002","98.701","0.002","660.54","0.14","93","","173","2","","","","","","","","3","P -1","-P 1","2","Tin(II) Pyrophosphate","Tin(II) Pyrophosphate","","- O28 P8 Sn8 -","- O7 P2 Sn2 -","- O28 P8 Sn8 -","4","2","","Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.","Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~","Chemistry of Materials","2005","17","2","284","290","10.1021/cm048463h","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000542","5.2776","0.0005","11.5413","0.0012","11.636","0.0012","102.911","0.008","99.303","0.008","98.899","0.008","668.2","0.12","293","","293","","","","","","","","","3","P -1","-P 1","2","Tin(II) Pyrophosphate","Tin(II) Pyrophosphate","","- O28 P8 Sn8 -","- O7 P2 Sn2 -","- O28 P8 Sn8 -","4","2","","Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.","Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~","Chemistry of Materials","2005","17","2","284","290","10.1021/cm048463h","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000543","7.1765","0.0004","9.2874","0.0006","5.2968","0.0004","90","","106.034","0.0032","90","","339.3","0.05","773","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tin(II) pyrophosphate","Tin(II) pyrophosphate","","- O7 P2 Sn2 -","- O7 P2 Sn2 -","- O14 P4 Sn4 -","2","0.5","","Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.","Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~","Chemistry of Materials","2005","17","2","284","290","10.1021/cm048463h","","","","","","","","","","","","","","","","","","","","","has coordinates","270063","2021-10-23","03:58:30",""
"4000556","16.009","0.004","16.009","0.004","21.785","0.009","90","","90","","120","","4835","2","296.1","","","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 Cr6 N4 O100 P2 W18 -","- C12 Cr6 N4.02 O100 P2 W18 -","- C24 Cr12 N8.04 O200 P4 W36 -","2","0.166667","","Uchida, Sayaka; Kawamoto, Ryosuke; Akatsuka, Takeo; Hikichi, Shiro; Mizuno, Noritaka","Structures and Sorption Properties of Ionic Crystals of Macrocation-Dawson-Type Polyoxometalates with Different Charges","Chemistry of Materials","2005","17","6","1367","1375","10.1021/cm047879s","","","0.7107","MoKα","","","0.042","","","","0.045","","","","","","1.128","","","","has coordinates","178241","2020-10-21","18:00:00",""
"4000575","12.981","0.003","6.1396","0.0012","5.9926","0.0012","90","","90","","90","","477.6","0.16","295","2","295","2","","","","","","","","3","P b c m","-P 2c 2b","57","ytterbium chromium antimonide","ytterbium chromium triantimonide","","- Cr Sb3 Yb -","- Cr Sb3 Yb -","- Cr4 Sb12 Yb4 -","4","0.5","","Crerar, Shane J.; Deakin, Laura; Mar, Arthur","Structure and Physical Properties of Ternary Antimonide YbCr~3~Sb~3~","Chemistry of Materials","2005","17","10","2780","2784","10.1021/cm0506151","","","0.71073","MoKα","","0.071","0.059","","","0.155","0.1613","","","","","","1.173","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000576","12.82","0.003","4.6019","0.0009","12.477","0.003","90","","90","","90","","736.1","0.3","293","2","293","2","","","","","","","","3","P m n a","-P 2ac 2","53","Trituliumpentaborate","Trituliumpentaborate","","- B5 O12 Tm3 -","- B5 O12 Tm3 -","- B20 O48 Tm12 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0642","0.0376","","","0.0922","0.1001","","","","","","0.814","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000577","12.774","0.003","4.5864","0.0009","12.451","0.003","90","","90","","90","","729.5","0.3","293","2","293","2","","","","","","","","3","P m n a","-P 2ac 2","53","Triytterbiumpentaborate","Triytterbiumpentaborate","","- B5 O12 Yb3 -","- B5 O12 Yb3 -","- B20 O48 Yb12 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.067","0.0445","","","0.0982","0.1084","","","","","","1.182","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000578","12.7651","0.0004","4.575","0.0002","12.4418","0.0004","90","","90","","90","","726.605","0.045","200","2","200","2","","","","","","","","3","P m n a","-P 2ac 2","53","Trilutetiumpentaborate","Trilutetiumpentaborate","","- B5 Lu3 O12 -","- B5 Lu3 O12 -","- B20 Lu12 O48 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0566","0.029","","","0.0776","0.085","","","","","","0.957","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000604","5.84414","0.00019","5.84414","","14.4089","0.0006","90","","90","","120","","426.189","0.035","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Mg O9 Sb2 -","- Ba3 Mg O9 Sb2 -","- Ba6 Mg2 O18 Sb4 -","2","0.0833333","","Lufaso, Michael W.; Hopkins, Elizabeth; Bell, Steven M.; Llobet, Anna","Crystal chemistry and microwave dielectric properties of Ba~3~MNb~2-x~Sb~x~O~9~ (M = Mg, Ni, Zn)","Chemistry of Materials","2005","17","16","4250","4255","10.1021/cm050631y","","","","","","","","","","","","","","","","","","","","","has coordinates","277948","2022-09-17","22:55:20",""
"4000605","5.85382","0.0001","5.85382","","14.44977","0.00031","90","","90","","120","","428.816","0.018","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 O9 Sb2 Zn -","- Ba3 O9 Sb2 Zn -","- Ba6 O18 Sb4 Zn2 -","2","0.0833333","","Lufaso, Michael W.; Hopkins, Elizabeth; Bell, Steven M.; Llobet, Anna","Crystal chemistry and microwave dielectric properties of Ba~3~MNb~2-x~Sb~x~O~9~ (M = Mg, Ni, Zn)","Chemistry of Materials","2005","17","16","4250","4255","10.1021/cm050631y","","","","","","","","","","","","","","","","","","","","","has coordinates","277948","2022-09-17","22:55:20",""
"4000617","5.97469","0.00017","6.11883","0.00017","8.53249","0.00024","90","","90","","90","","311.932","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O Pr0.33 Sr0.32 -","- O Pr0.333333 Sr0.321 -","- O12 Pr4 Sr3.852 -","12","1.5","","Thundathil, Mary A.; Jones, Camille Y.; Snyder, G. Jeffrey; Haile, Sossina M.","Nonstoichiometry, Structure, and Electrical Properties of ""SrPrO~3~""","Chemistry of Materials","2005","17","20","5146","5154","10.1021/cm050895k","powder diffraction","neutron","1.5398","","","","","","","","","0.04961","","1.17","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000618","5.988","0.00017","6.12136","0.00017","8.54858","0.00024","90","","90","","90","","313.346","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O3 Pr Sr0.96 -","- O3 Pr Sr0.963 -","- O12 Pr4 Sr3.852 -","4","0.5","","Thundathil, Mary A.; Jones, Camille Y.; Snyder, G. Jeffrey; Haile, Sossina M.","Nonstoichiometry, Structure, and Electrical Properties of ""SrPrO~3~""","Chemistry of Materials","2005","17","20","5146","5154","10.1021/cm050895k","powder diffraction","neutron","1.5398","","","","","","","","","0.03313","","1.14","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000624","11.00922","0.00019","11.40631","0.00019","3.94327","0.00006","90","","90","","90","","495.175","0.021","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- La2 O5 Ti -","- La2 O5 Ti -","- La8 O20 Ti4 -","4","0.5","","Martín-Sedeño, M. C.; Marrero-López, D.; Losilla, E. R.; León-Reina, L.; Bruque, S.; Núñez, P.; Aranda, M. A. G.","Structural and electrical investigation of oxide ion and proton conducting titanium cuspidines","Chemistry of Materials","2005","17","24","5989","5998","10.1021/cm051117v","powder diffraction","","","","","","","","","","","","","2.17","","","","","","","has coordinates","277952","2022-09-18","01:03:30",""
"4000625","7.96293","0.00015","11.09998","0.00023","11.8294","0.0004","90","","109.689","0.004","90","","984.45","0.05","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.25 La O2.39 Ti0.25 -","- Ga0.24825 La O2.385 Ti0.25175 -","- Ga3.972 La16 O38.16 Ti4.028 -","16","4","","Martín-Sedeño, M. C.; Marrero-López, D.; Losilla, E. R.; León-Reina, L.; Bruque, S.; Núñez, P.; Aranda, M. A. G.","Structural and electrical investigation of oxide ion and proton conducting titanium cuspidines","Chemistry of Materials","2005","17","24","5989","5998","10.1021/cm051117v","powder diffraction","","","","","","","","","","","","","3.02","","","","","","","has coordinates","277951","2022-09-18","00:39:59",""
"4000626","8.00474","0.00033","11.1123","0.0005","11.8456","0.0008","90","","109.788","0.008","90","","991.46","0.11","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.25 La O2.37 Ti0.25 -","- Ga0.25 La O2.365 Ti0.25 -","- Ga4 La16 O37.84 Ti4 -","16","4","","Martín-Sedeño, M. C.; Marrero-López, D.; Losilla, E. R.; León-Reina, L.; Bruque, S.; Núñez, P.; Aranda, M. A. G.","Structural and electrical investigation of oxide ion and proton conducting titanium cuspidines","Chemistry of Materials","2005","17","24","5989","5998","10.1021/cm051117v","powder diffraction","neutron","1.88035","","","","","","","","","0.04019","","1.48","","","","","","","has coordinates","277952","2022-09-18","01:03:30",""
"4000644","8.7433","0.0005","20.7448","0.0011","34.3664","0.0018","90","","90","","90","","6233.3","0.6","275","2","275","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Perles, Josefina; Iglesias, Marta; Martín-Luengo, Maria-Ángeles; Monge, M. Ángeles; Ruiz-Valero, Caridad; Snejko, Natalia","Metal−Organic Scandium Framework: Useful Material for Hydrogen Storage and Catalysis","Chemistry of Materials","2005","17","23","5837","5842","10.1021/cm051362e","","","","","","","","","","","","","","","","","","","","","has coordinates","192410","2020-10-21","18:00:00",""
"4000655","7.1664","0.0001","28.4756","0.0006","8.5418","0.0002","90","","104.976","0.001","90","","1683.9","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs3 Eu O15 Si6 -","- Cs3 Eu O15 Si6 -","- Cs12 Eu4 O60 Si24 -","4","1","","Huang, Meow-Yu; Chen, Yi-Hsiu; Chang, Bor-Chen; Lii, Kwang-Hwa","High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structure, and Luminescence Properties of Cs~3~EuSi~6~O~15~, a Europium(III) Silicate with a Three-Dimensional Framework Structure","Chemistry of Materials","2005","17","23","5743","5747","10.1021/cm051703o","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000656","5.5414","0.0009","5.4986","0.0009","28.81","0.005","90","","90","","90","","877.8","0.4","600","","","","","","","","","","","4","B b m m","-B 2 2b","63","","","","- Fe3 Nd O9 Sr3 -","- Fe3 O9.02 Sr4 -","- Fe12 O36.08 Sr16 -","4","0.25","","Barrier, N.; Pelloquin, D.; Nguyen, N.; Giot, M.; Bourrée, F.; Raveau, B.","Ferrite Sr~3~NdFe~3~O~9~: An Original Intergrowth between the Brownmillerite and K~2~NiF~4~-type Structures","Chemistry of Materials","2005","17","26","6619","6623","10.1021/cm051729f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","203895","2020-10-21","18:00:00",""
"4001603","10.3704","0.0012","11.6816","0.0013","15.3131","0.0019","90","","90","","90","","1855.1","0.4","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H28 B F4 Li O6 -","- C12 H28 B F4 Li O6 -","- C48 H112 B4 F16 Li4 O24 -","4","0.5","","Andreev, Yuri G.; Seneviratne, Varuni; Khan, Masood; Henderson, Wesley A.; Frech, Roger E.; Bruce, Peter G.","Crystal Structures of Poly(Ethylene Oxide)3:LiBF4and (Diglyme)n:LiBF4(n= 1,2)","Chemistry of Materials","2005","17","4","767","","10.1021/cm048310u","","","0.71073","MoKα","","0.1005","0.0579","","","0.1407","0.1686","","","","","","1.027","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001736","6.7147","","6.7147","","6.4688","","90","","90","","120","","252.585","","","","","","","","","","","","","4","P 32","P 32","145","","Bi B2 O4 F","","- B2 Bi F O4 -","- B2 Bi F O4 -","- B6 Bi3 F3 O12 -","3","1","","Li, G.; Lin, J.; Wang, Y.; Li, L.; Liao, F.","Bismuth borates: One-dimensional borate chains and nonlinear optical properties","Chemistry of Materials (1,1989-)","2005","17","","4174","4180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002373","7.149","","7.149","","7.149","","90","","90","","90","","365.373","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo1.9 Cr0.1 O8.96","","- Cr0.1 La2 Mo1.9 O8.96 -","- Cr0.1 La2 Mo1.9 O8.96 -","- Cr0.2 La4 Mo3.8 O17.92 -","2","0.166667","","Corbel, G.; Goutenoire, F.; Laligant, Y.; Suard, E.; Lacorre, P.","Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)","Chemistry of Materials (1,1989-)","2005","17","","4678","4684","","","","","","","","","","","","","","","","","","","","","","has coordinates","150610","2020-10-21","18:00:00",""
"4002374","7.1463","","7.1463","","7.1463","","90","","90","","90","","364.959","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo1.8 Cr0.2 O8.90","","- Cr0.2 La2 Mo1.8 O8.9 -","- Cr0.2 La2 Mo1.8 O8.9 -","- Cr0.4 La4 Mo3.6 O17.8 -","2","0.166667","","Corbel, G.; Laligant, Y.; Goutenoire, F.; Suard, E.; Lacorre, P.","Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)","Chemistry of Materials (1,1989-)","2005","17","","4678","4684","","","","","","","","","","","","","","","","","","","","","","has coordinates","150611","2020-10-21","18:00:00",""
"4002375","7.1389","","7.1389","","7.1389","","90","","90","","90","","363.826","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","La2 Mo1.5 Cr0.5 O8.96","","- Cr0.5 La2 Mo1.5 O8.96 -","- Cr0.5 La2 Mo1.5 O8.96 -","- Cr La4 Mo3 O17.92 -","2","0.166667","","Corbel, G.; Goutenoire, F.; Laligant, Y.; Suard, E.; Lacorre, P.","Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)","Chemistry of Materials (1,1989-)","2005","17","","4678","4684","","","","","","","","","","","","","","","","","","","","","","has coordinates","150612","2020-10-21","18:00:00",""
"4002382","7.432","","4.44","","7.087","","90","","90","","90","","233.857","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ce (Rh0.69 Ir0.31) Ge","","- Ce Ge Ir0.31 Rh0.69 -","- Ce Ge Ir0.31 Rh0.69 -","- Ce4 Ge4 Ir1.24 Rh2.76 -","4","0.5","","Gaudin, E.; Chevalier, B.; Heying, B.; Rodewald, U.C.; Poettgen, R.","Valence and structural transitions in the pseudo-ternary germanide Ce (Rh0.69 Ir0.31) Ge","Chemistry of Materials (1,1989-)","2005","17","","2693","2700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002409","4.3","","8.587","","10.518","","113.11","","100.5","","90.36","","349.919","","","","","","","","","","","","","1","P 1","P 1","1","","Bi (B4 O6 (O H)2) (O H)","","- Bi0.5 -","- Bi0.5 -","- Bi -","2","2","","Li, L.; Li, G.; Wang, Y.; Lin, J.; Liao, F.","Bismuth borates: One-dimensional borate chains and nonlinear optical properties","Chemistry of Materials (1,1989-)","2005","17","","4174","4180","","","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002410","6.6257","","6.6238","","6.6541","","89.998","","89.982","","119.332","","254.591","","","","","","","","","","","","","1","P 1","P 1","1","","Bi3 (B6 O13 (O H))","","- Bi -","- Bi -","- Bi -","1","1","","Li, L.; Liao, F.; Li, G.; Wang, Y.; Lin, J.","Bismuth borates: One-dimensional borate chains and nonlinear optical properties","Chemistry of Materials (1,1989-)","2005","17","","4174","4180","","","","","","","","","","","","","","","","","","","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002429","4.289","","4.289","","9.299","","90","","90","","90","","171.06","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Y Ni0.57 Sb2","","- Ni0.57 Sb2 Y -","- Ni0.567 Sb2 Y -","- Ni1.134 Sb4 Y2 -","2","0.125","","Thomas, E.L.; Chan, J.Y.; Young, D.P.; Moldovan, M.","Synthesis, structure, and magneto-transport of Ln Ni(1-x) Sb2 (Ln = Y, Gd - Er)","Chemistry of Materials (1,1989-)","2005","17","","5810","5816","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002629","7.429","","4.467","","7.121","","90","","90","","90","","236.313","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Rh Ge","","- Ce Ge Rh -","- Ce Ge Rh -","- Ce4 Ge4 Rh4 -","4","0.5","","Gaudin, E.; Rodewald, U.C.; Chevalier, B.; Heying, B.; Poettgen, R.","Valence and Structural Transitions in the Pseudo-Ternary Germanide Ce (Rh0.69 Ir0.31) Ge","Chemistry of Materials (1,1989-)","2005","17","","2693","2700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002635","7.072","","4.3742","","7.573","","90","","90","","90","","234.266","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Ir Ge","","- Ce Ge Ir -","- Ce Ge Ir -","- Ce4 Ge4 Ir4 -","4","0.5","","Gaudin, E.; Chevalier, B.; Poettgen, R.; Heying, B.; Rodewald, U.C.","Valence and Structural Transitions in the Pseudo-Ternary Germanide Ce (Rh0.69 Ir0.31) Ge","Chemistry of Materials (1,1989-)","2005","17","","2693","2700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4004041","3.80329","0.00006","3.80329","0.00006","4.64989","0.0001","90","","90","","90","","67.261","0.002","","","90","","","","100","","","","","3","P 4 m m","P 4 -2","99","PbVO3 perovskite at 90 K","","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.","Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 90 K","Chemistry of Materials","2005","17","","269","273","10.1021/cm048387i","","","","","","","","","","","","","","","","","","","","","has coordinates","270200","2021-11-02","08:27:47",""
"4004042","3.80391","0.00005","3.80391","0.00005","4.6768","0.00008","90","","90","","90","","67.672","0.0017","","","300","","","","100","","","","","3","P 4 m m","P 4 -2","99","PbVO3 perovskite at 300 K","","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.","Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 300 K","Chemistry of Materials","2005","17","","269","273","10.1021/cm048387i","","","","","","","","","","","","","","","","","","","","","has coordinates","270201","2021-11-02","08:28:36",""
"4004043","3.80721","0.00005","3.80721","0.00005","4.69819","0.00009","90","","90","","90","","68.0995","0.0018","","","530","","","","100","","","","","3","P 4 m m","P 4 -2","99","PbVO3 perovskite at 530 K","","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.","Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 530 K","Chemistry of Materials","2005","17","","269","273","10.1021/cm048387i","","","","","","","","","","","","","","","","","","","","","has coordinates","270202","2021-11-02","08:29:18",""
"4078327","17.434","0.005","8.927","0.005","17.45","0.005","90","","93.41","0.03","90","","2711","1.9","200","2","200","2","","","","","","","Cp*Al + Co2(CO)8 in toluene","5","P 1 21/c 1","-P 2ybc","14","","Bis(pentamethylcyclopentadienylaluminium)-dicobalthexacarbonyl","","- C26 H30 Al2 Co2 O6 -","- C26 H30 Al2 Co2 O6 -","- C104 H120 Al8 Co8 O24 -","4","1","","Üffing, Christoph; Ecker, Achim; Köppe, Ralf; Schnöckel, Hansgeorg","Synthesis, Structure, and Bonding of a Polyhedral Al2Co2Cluster","Organometallics","1998","17","11","2373","","10.1021/om9710576","","","0.71069","MoKa","","0.1404","0.0585","","0.1666","0.1111","","","","1.176","1.111","1.111","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078389","15.706","0.004","9.197","0.004","16.57","0.003","90","","109.27","0.02","90","","2259.4","1.2","20","","20","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H37 O P3 Ru -","- C18 O P3 Ru -","- C72 O4 P12 Ru4 -","4","1","","Hirano, Masafumi; Kurata, Naoki; Marumo, Tsuyoshi; Komiya, Sanshiro","Successive O−C/O−H and sp3C−H Bond Activation oforthoSubstituents in Allyl Phenyl Ethers and Phenols by a Ruthenium(0) Complex","Organometallics","1998","17","4","501","","10.1021/om970911q","","","0.7107","MoKalpha","","","0.043","","","0.03","","","","","1.62","1.62","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078390","14.171","0.005","12.179","0.003","17.778","0.004","90","","100","0.03","90","","3021.7","1.5","20","","20","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H53 O P3 Ru -","- C27 H53 O P3 Ru -","- C108 H212 O4 P12 Ru4 -","4","1","","Hirano, Masafumi; Kurata, Naoki; Marumo, Tsuyoshi; Komiya, Sanshiro","Successive O−C/O−H and sp3C−H Bond Activation oforthoSubstituents in Allyl Phenyl Ethers and Phenols by a Ruthenium(0) Complex","Organometallics","1998","17","4","501","","10.1021/om970911q","","","0.7107","MoKalpha","","","0.046","","","0.041","","","","","2.24","2.24","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078391","9.515","0.002","28.12","0.008","11.442","0.002","90","","90.56","0.02","90","","3061.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[C6H5CH2Co(L)(LR)]ClO4","","","- C29 H40 Cl Co N6 O5 -","- C29 H39 Cl Co N6 O5 -","- C116 H156 Cl4 Co4 N24 O20 -","4","1","","Dreos, Renata; Herlinger, Erwin; Tauzher, Giovanni; Vuano, Sara; Nardin, Giorgio; Randaccio, Lucio","Synthesis, Characterization, and Reactivity of a New Mononuclear Benzyl−Cobalt Complex Containing Mixed Tridentate Imino−Oxime and Diamine Ligands","Organometallics","1998","17","11","2366","","10.1021/om970967k","","","0.71073","MoKα","","0.2685","0.0835","","0.2014","0.171","","","","0.858","1.202","1.202","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078392","8.632","0.002","15.857","0.004","10.622","0.003","90","","96.38","0.02","90","","1444.9","0.6","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H56 B F4 O P Ru S2 -","- C28 H36 B F4 O P Ru S2 -","- C56 H72 B2 F8 O2 P2 Ru2 S4 -","2","1","","Lindner, Ekkehard; Pautz, Stefan; Fawzi, Riad; Steimann, Manfred","Behavior of (Ether−phosphine)ruthenium(II) Complexes [(η6-C6Me6)RuH(P⌒O)][BF4] Containing Reactive Ru−O and Ru−H Bonds toward Various Small Molecules and Their Application in Ring-Opening Metathesis Polymerization","Organometallics","1998","17","14","3006","","10.1021/om980001o","","","0.71073","MoKα","","0.0206","0.0201","","0.0559","0.0552","","","","0.939","0.939","0.939","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078393","9.768","0.002","12.018","0.002","14.577","0.003","105.28","0.03","90.66","0.03","90.5","0.03","1650.5","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H45 B F4 N O2 P Ru -","- C33 H44 B F4 N O2 P Ru -","- C66 H88 B2 F8 N2 O4 P2 Ru2 -","2","1","","Lindner, Ekkehard; Pautz, Stefan; Fawzi, Riad; Steimann, Manfred","Behavior of (Ether−phosphine)ruthenium(II) Complexes [(η6-C6Me6)RuH(P⌒O)][BF4] Containing Reactive Ru−O and Ru−H Bonds toward Various Small Molecules and Their Application in Ring-Opening Metathesis Polymerization","Organometallics","1998","17","14","3006","","10.1021/om980001o","","","0.71073","MoKα","","0.0555","0.0503","","0.138","0.1305","","","","1.594","1.587","1.587","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078394","9.883","0.003","12.773","0.003","12.924","0.003","76.65","0.02","69.51","0.02","87.7","0.02","1485.5","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H39 B F4 N O2 P Ru -","- C30 H39 B F4 N O2 P Ru -","- C60 H78 B2 F8 N2 O4 P2 Ru2 -","2","1","","Lindner, Ekkehard; Pautz, Stefan; Fawzi, Riad; Steimann, Manfred","Behavior of (Ether−phosphine)ruthenium(II) Complexes [(η6-C6Me6)RuH(P⌒O)][BF4] Containing Reactive Ru−O and Ru−H Bonds toward Various Small Molecules and Their Application in Ring-Opening Metathesis Polymerization","Organometallics","1998","17","14","3006","","10.1021/om980001o","","","0.71073","MoKα","","0.0342","0.0323","","0.0843","0.0812","","","","1.666","1.641","1.641","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078395","11.714","0.003","13.097","0.003","18.019","0.003","90","","108.03","0.01","90","","2628.7","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B F4 O P Ru -","- C27 H36 B F4 O P Ru -","- C108 H144 B4 F16 O4 P4 Ru4 -","4","1","","Lindner, Ekkehard; Pautz, Stefan; Fawzi, Riad; Steimann, Manfred","Behavior of (Ether−phosphine)ruthenium(II) Complexes [(η6-C6Me6)RuH(P⌒O)][BF4] Containing Reactive Ru−O and Ru−H Bonds toward Various Small Molecules and Their Application in Ring-Opening Metathesis Polymerization","Organometallics","1998","17","14","3006","","10.1021/om980001o","","","0.71073","MoKα","","0.0549","0.0423","","0.1178","0.1053","","","","1.668","1.652","1.652","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078396","29.204","0.003","8.5268","0.0006","15.905","0.003","90","","120.803","0.013","90","","3401.9","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Me5Cp)Co(B3H7)Fe(CO)3","","- C13 H22 B3 Co Fe O3 -","- C13 H22 B3 Co Fe O3 -","- C104 H176 B24 Co8 Fe8 O24 -","8","1","","Lei, Xinjian; Shang, Maoyu; Fehlner, Thomas P.","Reactions of the Cobaltaborane 2,4-{(η5-C5Me5)Co}2B3H7with Metal Fragments. Synthesis and Characterization ofnido-1-{(η5-C5Me5)Co}-2-{(CO)3Fe}B3H7andarachno-(η5-C5Me5)(CO)CoB3H7","Organometallics","1998","17","8","1558","","10.1021/om980010x","","","0.71073","MoKα","","0.0258","0.0229","","0.0651","0.0625","","","","1.09","1.093","1.093","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078397","7.0216","0.0011","27.298","0.002","8.0282","0.0012","90","","111.739","0.006","90","","1429.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Me5Cp)Co(CO)(B3H7)","","- C11 H22 B3 Co O -","- C11 H22 B3 Co O -","- C44 H88 B12 Co4 O4 -","4","1","","Lei, Xinjian; Shang, Maoyu; Fehlner, Thomas P.","Reactions of the Cobaltaborane 2,4-{(η5-C5Me5)Co}2B3H7with Metal Fragments. Synthesis and Characterization ofnido-1-{(η5-C5Me5)Co}-2-{(CO)3Fe}B3H7andarachno-(η5-C5Me5)(CO)CoB3H7","Organometallics","1998","17","8","1558","","10.1021/om980010x","","","0.71073","MoKα","","0.0552","0.047","","0.1505","0.1168","","","","1.157","1.118","1.118","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078398","10.366","0.001","11.29","0.003","12.934","0.002","97.07","0.02","113.03","0.01","103.78","0.02","1312.8","0.5","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H92 Al2 N2 -","- C48 H92 Al2 N2 -","- C48 H92 Al2 N2 -","1","0.5","","Gilbertson, Robert D.; Haley, Michael M.; Weakley, Timothy J. R.; Weiss, Hans-Christoph; Boese, Roland","Synthesis and Characterization of an Unusually Stable Dialkylaluminum Aldimine Complex: X-ray Crystal Structure oftrans-[(1,2,3-(t-Bu)3-cyclo-C3)CHNAl(i-Bu)2]2","Organometallics","1998","17","14","3105","","10.1021/om980072n","","","0.71073","MoKα","","","0.078","","","0.086","","","","","3.03","3.03","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078399","8.4807","0.0011","12.9985","0.0019","21.141","0.003","72.697","0.012","80.666","0.011","79.253","0.011","2171.8","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H36.5 Cl0.5 Ge4 -","- C55 H34 Cl0.5 Ge4 -","- C110 H68 Cl Ge8 -","2","1","","Dam, Matheus A.; Hoogervorst, Wilhelmus J.; de Kanter, Franciscus J. J.; Bickelhaupt, Friedrich; Spek, Anthony L.","Synthesis of Alkynyl-Substituted 9,10-Dimetallatriptycenes of Group 14 and Their Application in the Preparation of a Novel Class of Organometallic Oligomers","Organometallics","1998","17","9","1762","","10.1021/om980073f","","","0.71073","MoKα","","0.0749","0.0503","","","0.1199","0.1332","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078400","7.8095","0.0006","16.0799","0.0009","11.8014","0.0008","90","","91.634","0.008","90","","1481.37","0.17","105","1","105","1","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H21 Cl3 P2 Ti -","- C8 H21 Cl3 P2 Ti -","- C32 H84 Cl12 P8 Ti4 -","4","1","","Scherer, Wolfgang; Priermeier, Thomas; Haaland, Arne; Volden, Hans Vidar; McGrady, G. Sean; Downs, Anthony J.; Boese, Roland; Bläser, Dieter","Molecular Structures of EtTiCl3and EtTiCl3(dmpe) (dmpe = Me2PCH2CH2PMe2): New Insights into β-Agostic Bonding","Organometallics","1998","17","20","4406","","10.1021/om980233n","","","0.71073","MoKa","","","0.0288","","","0.018","","","","","0.9791","0.9791","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4078401","19.843","0.009","8.509","0.009","13.218","0.007","90","","90","","90","","2232","3","117","2","117","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H32 Cl5 N4 Nb2 -","- C12 H32 Cl5 N4 Nb2 -","- C48 H128 Cl20 N16 Nb8 -","4","1","","Tayebani, Maryam; Feghali, Khalil; Gambarotta, Sandro; Yap, Glenn","Molecular Rearrangements of a Low-Valent Niobium Amide: Ligand C−H Bond Oxidative Addition and Reductive Elimination","Organometallics","1998","17","19","4282","","10.1021/om980302y","","","0.71073","MoKα","","0.0361","0.0222","","0.059","0.0457","","","","1.051","1.047","1.047","","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078402","13.4635","0.0008","39.259","0.002","14.4266","0.0009","90","","94.936","0.001","90","","7597.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H89 Li N9 Nb2 -","- C79 H89 Li N9 Nb2 -","- C316 H356 Li4 N36 Nb8 -","4","1","","Tayebani, Maryam; Feghali, Khalil; Gambarotta, Sandro; Yap, Glenn","Molecular Rearrangements of a Low-Valent Niobium Amide: Ligand C−H Bond Oxidative Addition and Reductive Elimination","Organometallics","1998","17","19","4282","","10.1021/om980302y","","","0.71073","MoKα","","0.1559","0.0913","","0.2911","0.2505","","","","1.008","1.22","1.22","","","","","has coordinates","301830","2025-08-20","13:17:26",""
"4078403","14.1827","0.0007","15.5713","0.0008","19.2238","0.0009","90","","90","","90","","4245.4","0.4","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 N4 Nb2 O -","- C52 H50 N4 Nb2 O -","- C208 H200 N16 Nb8 O4 -","4","1","","Tayebani, Maryam; Feghali, Khalil; Gambarotta, Sandro; Yap, Glenn","Molecular Rearrangements of a Low-Valent Niobium Amide: Ligand C−H Bond Oxidative Addition and Reductive Elimination","Organometallics","1998","17","19","4282","","10.1021/om980302y","","","0.71073","MoKα","","0.0219","0.0211","","0.0572","0.056","","","","1.008","1.001","1.001","","","","","has coordinates","301830","2025-08-20","13:17:26",""
"4078404","10.5709","0.0006","14.141","0.0009","18.9384","0.0011","96.796","0.002","101.292","0.002","98.254","0.001","2716","0.3","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","tetrakis-mu!3$-sulfido-mu!4$-oxide-bis(eta$5!-cyclopentadienyl-titanium(iv))- bis(carbonyl-rhodium(i))-bis(carbonyl-triphenylphosphite-rhodium(i))","","- C50 H40 O11 P2 Rh4 S4 Ti2 -","- C50 H40 O11 P2 Rh4 S4 Ti2 -","- C100 H80 O22 P4 Rh8 S8 Ti4 -","2","1","","Casado, Miguel A.; Ciriano, Miguel A.; Edwards, Andrew J.; Lahoz, Fernando J.; Pérez-Torrente, Jesús J.; Oro, Luis A.","Oxo Sulfido Heteronuclear Titanium−Rhodium Clusters with an Incomplete Doubly-Fused Cubane Structure","Organometallics","1998","17","16","3414","","10.1021/om980307v","","","0.71073","MoKα","","0.1052","0.0578","","","0.1186","0.1376","","","","","","0.981","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078405","18.439","0.002","14.5052","0.0011","18.754","0.002","90","","117.019","0.007","90","","4468.5","0.8","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 F3 N3 O3 P2 Pd S -","- C47 H42 F3 N3 O3 P2 Pd S -","- C188 H168 F12 N12 O12 P8 Pd4 S4 -","4","1","","Vicente, José; Arcas, Aurelia; Bautista, Delia; Ramírez de Arellano, M. Carmen","Palladium(II) Complexes of Monoaryliminophosphorane Derivatives of 1,2-Bis(Diphenylphosphino)methane. Crystal Structure of [Pd{κ2-C6H3(NN−C6H4Me-4‘)-2- (C6H4Me-4‘‘)-5-C,N‘}{κ2-PPh2CH2P(NC6H4Me-4)Ph2-P,N}]†","Organometallics","1998","17","21","4544","","10.1021/om980445k","","","0.71073","MoKα","","0.0584","0.0344","","0.0785","0.0723","","","","1.001","1.091","1.091","","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078406","24.263","0.002","14.663","0.002","7.9793","0.0013","90","","90","","90","","2838.8","0.6","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H39 B2 F8 Mo N2 P3 -","- C18 H40 B2 F8 Mo N2 P3 -","- C72 H160 B8 F32 Mo4 N8 P12 -","4","0.5","","Fettinger, James C.; Kraatz, Heinz-Bernard; Poli, Rinaldo; Quadrelli, Elsje Alessandra; Torralba, Raymund C.","Electrophilic Addition vs Electron Transfer for the Interaction of Ag+with Molybdenum(II) Hydrides. 1. Reaction with CpMoH(PMe3)3and the Mechanism of Decomposition of [CpMoH(PMe3)3]+","Organometallics","1998","17","26","5767","","10.1021/om9805786","","","0.71073","MoKα","","0.0729","0.0391","","0.0809","0.0692","","","","1.111","1.153","1.153","","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078407","9.116","0.001","9.3585","0.0007","8.828","0.001","100.605","0.009","117.71","0.007","76.342","0.008","645.49","0.12","293.2","","293.2","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H46 Mn -","- C28 H46 Mn -","- C28 H46 Mn -","1","0.5","","Hays, Melanie L.; Burkey, David J.; Overby, Jason S.; Hanusa, Timothy P.; Sellers, Scott P.; Yee, Gordon T.; Young, Victor G.","Steric Influence on the Structure, Magnetic Properties, and Reactivity of Hexa- and Octaisopropylmanganocene","Organometallics","1998","17","25","5521","","10.1021/om980596n","","","1.5418","CuKalpha","","","0.0396","","","0.0492","","","","","1.93","1.93","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078408","16.2998","0.0009","16.8944","0.0009","23.4009","0.0013","90","","92.322","0.001","90","","6438.7","0.6","173","2","173","2","","","","","","","Prof. T. Hanusa - Vanderbilt University","3","C 1 2/c 1","-C 2yc","15","97042a","","","- C34 H58 Mn -","- C34 H58 Mn -","- C272 H464 Mn8 -","8","1","","Hays, Melanie L.; Burkey, David J.; Overby, Jason S.; Hanusa, Timothy P.; Sellers, Scott P.; Yee, Gordon T.; Young, Victor G.","Steric Influence on the Structure, Magnetic Properties, and Reactivity of Hexa- and Octaisopropylmanganocene","Organometallics","1998","17","25","5521","","10.1021/om980596n","","","0.71073","MoKα","","0.1515","0.078","","0.1886","0.157","","","","1.061","1.189","1.189","","","","","has coordinates","301830","2025-08-20","13:17:26",""
"4078409","10.076","0.002","12.421","0.002","9.66","0.001","108.24","0.01","107.54","0.01","95.26","0.01","1071.5","0.3","293.2","","293.2","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H29 N3 -","- C22 H29 N3 -","- C44 H58 N6 -","2","1","","Hays, Melanie L.; Burkey, David J.; Overby, Jason S.; Hanusa, Timothy P.; Sellers, Scott P.; Yee, Gordon T.; Young, Victor G.","Steric Influence on the Structure, Magnetic Properties, and Reactivity of Hexa- and Octaisopropylmanganocene","Organometallics","1998","17","25","5521","","10.1021/om980596n","","","1.5418","CuKalpha","","","0.0443","","","0.0528","","","","","1.73","1.73","","","","","has coordinates","301830","2025-08-20","13:17:26",""
"4343730","7.649","","44.44","","7.139","","90","","90","","91.3","","2426.07","","","","","","","","","","","","","2","I 1 1 2/b","-I 2b","15","","Sm6 Br13","","- Br13 Sm6 -","- Br13 Sm6 -","- Br52 Sm24 -","4","0.5","","Baernighausen, H.; Haschke, J.M.","Compositions and crystal structures of the intermediate phases in the samarium-bromine system","Inorganic Chemistry","1978","17","","18","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343731","7.652","","81.62","","7.13","","90","","90.19","","90","","4453.06","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","Sm11 Br24","","- Br24 Sm11 -","- Br24 Sm11 -","- Br96 Sm44 -","4","1","","Baernighausen, H.; Haschke, J.M.","Compositions and crystal structures of the intermediate phases in the samarium-bromine system","Inorganic Chemistry","1978","17","","18","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343732","7.652","","37.21","","7.121","","90","","90.26","","90","","2027.55","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Sm5 Br11","","- Br11 Sm5 -","- Br11 Sm5 -","- Br44 Sm20 -","4","1","","Baernighausen, H.; Haschke, J.M.","Compositions and crystal structures of the intermediate phases in the samarium-bromine system","Inorganic Chemistry","1978","17","","18","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","148431","2020-10-21","18:00:00",""
"4343749","5.7699","","5.7699","","20.799","","90","","90","","120","","599.666","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Ba3 Re1.96 O9","","- Ba3 O9 Re1.96 -","- Ba3 O9 Re1.961 -","- Ba9 O27 Re5.883 -","3","0.0833333","","Calvo, C.; Ng, H.N.; Chamberland, B.L.","Preparation and structure of a ternary oxide of barium and rhenium, Ba3 Re2-x O9","Inorganic Chemistry","1978","17","","699","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","148632","2020-10-21","18:00:00",""
"4343772","7.141","","10.637","","13.95","","88.41","","91.35","","104.58","","1024.96","","","","","","","","","","","","","4","P -1","-P 1","2","","Ni4 (C O)4 (C3 Cl3)2 Cl2","","- C10 Cl8 Ni4 O4 -","- C10 Cl8 Ni4 O4 -","- C20 Cl16 Ni8 O8 -","2","1","","Frisch, P.D.; Posey, R.G.; Khare, G.P.","Synthesis and crystal structure analysis of (Ni2 (C O)2 (my-C3 Cl3) (my-Cl2, a perchlorinated organonickel cluster containing a novel bridging propenyl ligand","Inorganic Chemistry","1978","17","","402","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","148932","2020-10-21","18:00:00",""
"4343798","7.549","","7.549","","12.39","","90","","90","","90","","706.074","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Hg2.80 (As F6)0.94","","- As0.94 F5.64 Hg2.8 -","- As0.94 F5.64 Hg2.8 -","- As3.76 F22.56 Hg11.2 -","4","0.125","","Schultz, A.J.; Williams, J.M.; Miro, N.D.; MacDiarmid, A.G.; Heeger, A.J.","A neutron diffraction investigation of the crystal and molecular structure of the anisotropic superconductor Hg3 As F6","Inorganic Chemistry","1978","17","","646","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","149917","2020-10-21","18:00:00",""
"4343804","9.339","","9.24","","5.828","","90","","90","","90","","502.912","","","","","","","","","","","","","2","F d d 2","F 2 -2d","43","","Pd F4","","- F4 Pd -","- F4 Pd -","- F32 Pd8 -","8","0.5","","Wright, A.F.; Leary, K.; Fender, B.E.F.; Bartlett, N.","A neutron powder diffraction study of palladium tetrafluoride","Inorganic Chemistry","1978","17","","748","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343817","6.443","","7.693","","6.125","","90","","90","","90","","303.592","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Zn Cl2","","- Cl2 Zn -","- Cl2 Zn -","- Cl8 Zn4 -","4","1","","Brynestad, J.; Yakel, H.L.jr.","Preparation and structure of anhydrous zinc chloride","Inorganic Chemistry","1978","17","","1376","1377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343850","10.632","","8.337","","8.604","","90","","98.09","","90","","755.06","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","B5 H10 Be B H4","","- B6 Be H14 -","- B6 Be H14 -","- B24 Be4 H56 -","4","1","","Gaines, D.F.; Walsh, J.L.; Calabrese, J.C.","Low-temperature crystal and molecular structures of 2-tetrahydroborato-2-berylla-nido-hexaborane(11) and 2,2'-commo-Bis(2-berylla-nido-hexaborane(11))","Inorganic Chemistry","1978","17","","1242","1247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343903","14.379","","16.501","","5.682","","90","","90","","90","","1348.16","","","","","","","","","","","","","3","C c c m","-C 2 2c","66","","Co0.83 (Pt (C2 O4)2) (H2 O)6","","- Co0.828 O13.968 Pt -","- Co0.828 O13.968 Pt -","- Co3.312 O55.872 Pt4 -","4","0.25","","Schultz, A.J.; Underhill, A.E.; Williams, J.M.","Preparation and crystal structure of the new paramagnetic one-dimensional conductor Co0.83 (Pt (C2 O4)2) (H2 O)6","Inorganic Chemistry","1978","17","","1313","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343943","9.838","","10.087","","9.659","","82.77","","88.99","","85.08","","947.372","","","","","","","","","","","","","1","P -1","-P 1","2","","H4 Ru4 (C O)12","","- Ru4 -","- Ru4 -","- Ru8 -","2","1","","Wilson, R.D.; Wu Sumiau; Love, R.A.; Bau, R.","Molecular structures of H4 Ru4 (C O)12 and H4 Ru4 (C O)10 (P Ph3)2","Inorganic Chemistry","1978","17","","1271","1279","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343946","6.308","","6.275","","16.023","","90","","99.97","","90","","624.656","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Xe F As F6","","- As F7 Xe -","- As F7 Xe -","- As4 F28 Xe4 -","4","1","","Zalkin, A.; Ward, D.L.; Biagioni, R.N.; Templeton, D.H.; Bartlett, N.","Crystal structure of (Xe F)(+) (As F6)(-)","Inorganic Chemistry","1978","17","","1318","1322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344212","13.29","","13.29","","8.981","","90","","90","","120","","1373.74","","","","","","","","","","","","","3","P 3","P 3","143","","Ir4 (C O)12","","- C12 Ir3.93357 O12 -","- C12 Ir3.93357 O12 -","- C36 Ir11.8007 O36 -","3","1","","Churchill, M.R.; Hutchinson, J.L.","Crystal structure of tetrairidium dodecacarbonyl, Ir4 (C O)12. An unpleasant case of disorder","Inorganic Chemistry","1978","17","","3528","3535","","","","","","","","","","","","","","","","","","","","","","has coordinates","161032","2020-10-21","18:00:00",""
"4344213","9.248","","23.01","","29.665","","90","","104.589","","90","","6109.07","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","H2 Os3 Re2 (C O)20","","- C20 H2 O20 Os3 Re2 -","- C20 O20 Os3 Re2 -","- C160 O160 Os24 Re16 -","8","2","","Churchill, M.R.; Hollander, F.J.","Structural studies on polynuclear osmium carbonyl hydrides. 7. Crystal structure and molecular geometry of (mue-H)2 Os3 Re2 (C O)20","Inorganic Chemistry","1978","17","","3546","3552","","","","","","","","","","","","","","","","","","","","","","has coordinates","161033","2020-10-21","18:00:00",""
"4344270","9.299","","7.976","","7.07","","90","","90","","90","","524.374","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","(S2 N) (Sb Cl6)","","- Cl6 N S2 Sb -","- Cl6 N S2 Sb -","- Cl12 N2 S4 Sb2 -","2","0.125","","Faggiani, R.; Gillespie, R.J.; Lock, C.J.L.; Tyrer, J.D.","Preparation, vibrational spectra, and crystal structure of dithionitronium hexachloroantimonate(V), S2 N Sb Cl6","Inorganic Chemistry","1978","17","","2975","2978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344272","6.949","","16.112","","7.737","","90","","108.14","","90","","823.198","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N H4)4 (Cr2 (C O3)4 (H2 O)2) (H2 O)2","","- C4 H24 Cr2 N4 O16 -","- C4 H20 Cr2 N4 O16 -","- C8 H40 Cr4 N8 O32 -","2","0.5","","Cotton, F.A.; Rice, G.W.","Further Studies of Cr-Cr Bond Lengths in Quadruply Bonded Dinuclear Compounds","Inorganic Chemistry","1978","17","","2004","2009","","","","","","","","","","","","","","","","","","","","","","has coordinates","163759","2020-10-21","18:00:00",""
"4344278","12.127","","6.651","","12.296","","90","","95.75","","90","","986.765","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","((N H3)5 Co S O3) Cl (H2 O)","","- Cl Co H17 N5 O4 S -","- Cl Co H17 N5 O4 S -","- Cl4 Co4 H68 N20 O16 S4 -","4","1","","Elder, R.C.; Heeg, M.J.; Payne, M.D.; Trkula, M.; Deutsch, E.","Trans Effect in Octahedral Complexes. 3. Comparison of Kinetic and Structural Trans Effects Induced by Coordinated Sulfur in Sulfito- and Sulfinatopentaamminecobalt(III) Complexes","Inorganic Chemistry","1978","17","","431","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4344311","7.127","","11.416","","15.379","","90","","119.15","","90","","1092.79","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","((N H3)2 Pt (O H)2 Pt (N H3)2) (C O3) (H2 O)2","","- C H18 N4 O7 Pt2 -","- C H18 N4 O7 Pt2 -","- C4 H72 N16 O28 Pt8 -","4","1","","Lippert, B.; Lock, C.J.L.; Rosenberg, B.; Zvagulis, M.","Hydroxo-bridged platinum(II) complexes. 4. Crystal structure and vibrational spectra of di-mue-hydroxo-bis(diammineplatinum(II carbonate dihydrate, (N H3)2 Pt (O H)2 Pt (N H3)2 C O3 (H2 O)2","Inorganic Chemistry","1978","17","","2971","2974","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344374","11.227","","6.79","","21.186","","90","","90","","90","","1615.04","","","","","","","","","","","","","4","P 21 c a","P -2ac 2a","29","","(U O2 S O4)2 (H2 O)7","","- H14 O19 S2 U2 -","- H14 O19 S2 U2 -","- H56 O76 S8 U8 -","4","1","","Zalkin, A.; Ruben, H.; Templeton, D.H.","Structure of a new uranyl sulfate hydrate, alpha(U O2 S O4)2 (H2 O)7","Inorganic Chemistry","1978","17","","3701","3702","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512423","15.516","0.0016","7.516","0.0008","12.331","0.0012","90","","92.523","0.001","90","","1436.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Fu, Lei; Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Hu, Jun-Die; Zhang, Juan-Juan; Zhao, Yan-Wei; Huang, Zhi-Bin; Shi, Da-Qing","Efficient synthesis and evaluation of antitumor activities of novel functionalized 1,8-naphthyridine derivatives.","ACS combinatorial science","2015","17","1","24","31","10.1021/co500120b","","","0.71073","MoKα","","0.1259","0.0488","","","0.09","0.1047","","","","","","1.008","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512424","12.9044","0.0009","12.0994","0.0005","17.6179","0.001","90","","110.508","0.007","90","","2576.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 N O4 -","- C29 H33 N O4 -","- C116 H132 N4 O16 -","4","1","","Fu, Lei; Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Hu, Jun-Die; Zhang, Juan-Juan; Zhao, Yan-Wei; Huang, Zhi-Bin; Shi, Da-Qing","Efficient synthesis and evaluation of antitumor activities of novel functionalized 1,8-naphthyridine derivatives.","ACS combinatorial science","2015","17","1","24","31","10.1021/co500120b","","","0.71073","MoKα","","0.0636","0.0456","","","0.1073","0.1167","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512591","16.1623","0.0009","17.5366","0.0011","13.8202","0.0008","90","","90","","90","","3917.1","0.4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H25 N4 O2 -","- C22 H24 N4 O2 -","- C176 H192 N32 O16 -","8","1","","Selvaraju, Manikandan; Sun, Chung-Ming","Unprecedented one-pot chemocontrolled entry to thioxoimidazolidinones and aminoimidazolones: synthesis of kinase inhibitor leucettamine B.","ACS combinatorial science","2015","17","3","182","189","10.1021/co500152s","","","0.71073","MoKα","","0.1011","0.0624","","","0.135","0.1773","","","","","","1.142","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512592","13.1619","0.0006","11.2406","0.0004","25.1656","0.0012","90","","101.799","0.002","90","","3644.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N3 O S -","- C18 H27 N3 O S -","- C144 H216 N24 O8 S8 -","8","2","","Selvaraju, Manikandan; Sun, Chung-Ming","Unprecedented one-pot chemocontrolled entry to thioxoimidazolidinones and aminoimidazolones: synthesis of kinase inhibitor leucettamine B.","ACS combinatorial science","2015","17","3","182","189","10.1021/co500152s","","","0.71073","MoKα","","0.0838","0.0458","","","0.1287","0.1678","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512676","6.9859","0.0003","8.9912","0.0004","15.1002","0.0007","73.049","0.002","81.912","0.002","82.561","0.002","894.31","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 Br N3 O3 S -","- C17 H20 Br N3 O3 S -","- C34 H40 Br2 N6 O6 S2 -","2","1","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.0226","0.0201","","","0.0566","0.0576","","","","","","1.102","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512677","9.3579","0.0002","13.4701","0.0003","14.2923","0.0004","88.8035","0.0012","81.1389","0.0012","78.233","0.0013","1742.56","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O4 S -","- C20 H18 N2 O4 S -","- C80 H72 N8 O16 S4 -","4","2","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.0457","0.034","","","0.0921","0.1005","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512678","10.3503","0.0006","21.2485","0.0012","7.497","0.0004","90","","92.7326","0.0017","90","","1646.93","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N3 O4 -","- C18 H21 N3 O4 -","- C72 H84 N12 O16 -","4","1","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.067","0.0444","","","0.1083","0.1215","","","","","","1.02","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512679","10.8848","0.0003","9.6003","0.0002","14.2172","0.0004","90","","108.411","0.0011","90","","1409.62","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C56 H64 N8 O16 S4 -","4","1","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.03","0.0268","","","0.0776","0.0801","","","","","","1.093","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512680","7.2339","0.0005","15.6981","0.0011","20.0319","0.0014","73.025","0.002","83.3904","0.0019","83.999","0.002","2155.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C84 H112 N16 O24 -","4","2","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.0878","0.0599","","","0.1363","0.1497","","","","","","1.062","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512681","18.2043","0.0008","38.6789","0.0017","8.0104","0.0004","90","","90","","90","","5640.3","0.4","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C224 H256 N32 O64 S16 -","16","1","","Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen","Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.","ACS combinatorial science","2015","17","3","202","207","10.1021/co500165a","","","0.71073","MoKα","","0.0358","0.0331","","","0.0844","0.0858","","","","","","1.094","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4513557","10.515","0.003","13.418","0.004","22.349","0.006","90","","94.899","0.004","90","","3141.7","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N2 O4 -","- C40 H36 N2 O4 -","- C160 H144 N8 O16 -","4","1","","Mondal, Animesh; Mukhopadhyay, Chhanda","FeCl3-Catalyzed Combinatorial Synthesis of Functionalized Spiro[Indolo-3,10'-indeno [1,2-b]quinolin]-trione Derivatives.","ACS combinatorial science","2015","17","7","404","408","10.1021/acscombsci.5b00038","","","0.71073","MoKα","","0.1093","0.0608","","","0.151","0.1819","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513558","35.945","0.005","7.1685","0.001","24.167","0.003","90","","130.561","0.002","90","","4730.9","1.1","571","2","571","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1S,2R,3aS,4R,9aR)-ethyl 4-(tert-butyldimethylsilyloxy)-2-hydroxy-8-methoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-1-carboxylate","","- C23 H36 O5 Si -","- C23 H36 O5 Si -","- C184 H288 O40 Si8 -","8","1","","Chamakuri, Srinivas; Jogula, Srinvas; Arya, Prabhat","Regio- and Stereocontrolled Dieckmann Approach to Treprostinil-Inspired, Polycyclic Scaffold For Building Macrocyclic Diversity.","ACS combinatorial science","2015","17","8","437","441","10.1021/acscombsci.5b00076","","","0.71073","MoKα","","0.0943","0.062","","","0.157","0.1771","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513559","4.1385","0.0004","17.8868","0.0019","20.726","0.003","90","","90","","90","","1534.2","0.3","171","","171","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(4-Bromophenyl)indolizino[3,2-c]quinoline","","- C21 H13 Br N2 -","- C21 H13 Br N2 -","- C84 H52 Br4 N8 -","4","1","","Park, Sujin; Kwon, Dah In; Lee, Jeeyeon; Kim, Ikyon","When Indolizine Meets Quinoline: Diversity-Oriented Synthesis of New Polyheterocycles and Their Optical Properties.","ACS combinatorial science","2015","17","8","459","469","10.1021/acscombsci.5b00031","","","1.54178","CuKα","","0.1241","0.0951","","","0.2494","0.2696","","","","","","1.25","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513621","10.983","0.003","11.817","0.003","18.748","0.006","75.62","0.006","87.482","0.007","64.662","0.006","2124.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O4 -","- C26 H21 N3 O4 -","- C104 H84 N12 O16 -","4","2","","Lee, Chia-Hsin; Wu, Wen-Chun; Dangate, Prasad S.; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming","Skeletally Diverse Synthesis of Innovative [2,1-c]-1,4-Oxazepine and [1,4]-Quinoxaline Systems.","ACS combinatorial science","2015","17","10","623","630","10.1021/acscombsci.5b00093","","","0.71073","MoKα","","0.0631","0.0423","","","0.0961","0.1071","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513622","8.1145","0.0012","14.457","0.002","15.454","0.003","69.4","0.004","79.555","0.004","83.787","0.004","1666.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H39 N5 O8 -","- C37 H39 N5 O8 -","- C74 H78 N10 O16 -","2","1","","Lee, Chia-Hsin; Wu, Wen-Chun; Dangate, Prasad S.; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming","Skeletally Diverse Synthesis of Innovative [2,1-c]-1,4-Oxazepine and [1,4]-Quinoxaline Systems.","ACS combinatorial science","2015","17","10","623","630","10.1021/acscombsci.5b00093","","","0.71073","MoKα","","0.1073","0.0605","","","0.1174","0.1356","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513719","16.054","0.003","5.3498","0.0006","20.105","0.003","90","","106.442","0.015","90","","1656.1","0.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O2 S -","- C19 H20 O2 S -","- C76 H80 O8 S4 -","4","1","","Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.","Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.","ACS combinatorial science","2015","17","11","671","681","10.1021/acscombsci.5b00044","","","","","","0.27","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513720","5.446","0.0004","16.8784","0.0017","19.1283","0.0014","90","","91.083","0.007","90","","1758","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 S -","- C19 H20 O4 S -","- C76 H80 O16 S4 -","4","1","","Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.","Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.","ACS combinatorial science","2015","17","11","671","681","10.1021/acscombsci.5b00044","","","0.71073","MoKα","","0.1683","0.073","","","0.0999","0.1413","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513721","5.614","0.002","32.096","0.012","11.011","0.002","90","","101.47","0.03","90","","1944.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C92 H80 O16 S4 -","4","1","","Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.","Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.","ACS combinatorial science","2015","17","11","671","681","10.1021/acscombsci.5b00044","","","0.71073","MoKα","","0.0974","0.0671","","","0.1422","0.1654","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513722","5.5396","0.0007","10.8167","0.0013","17.091","0.002","72.01","0.006","81.369","0.006","78.119","0.006","949","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 O2 S -","- C23 H20 O2 S -","- C46 H40 O4 S2 -","2","1","","Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.","Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.","ACS combinatorial science","2015","17","11","671","681","10.1021/acscombsci.5b00044","","","0.71073","MoKα","","0.1117","0.0703","","","0.2114","0.2258","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4514126","5.939","0.0012","6.2687","0.0013","11.247","0.002","103.95","0.03","91.49","0.03","99.82","0.03","399.43","0.15","25","","12","","","","","","","","","4","P -1","-P 1","2","Sodium hydrogen maleate","","","- C4 H9 Na O7 -","- C4 H9 Na O7 -","- C8 H18 Na2 O14 -","2","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0552","0.0355","","0.0536","0.0304","0.0287","","","","","","0.9998","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514127","5.3526","0.0011","10.014","0.002","22.411","0.004","90","","90","","90","","1201.3","0.4","25","","12","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0449","0.0425","","0.053","0.0527","0.052","","","","","","0.9999","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514128","4.5071","0.0009","7.7017","0.0015","15.921","0.003","90","","90","","90","","552.66","0.19","25","","12","","","","","","","","","4","P b c m","-P 2c 2b","57","Potassium hydrogen maleate","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C16 H12 K4 O16 -","4","0.5","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0377","0.0264","","0.0644","0.047","0.0436","","","","","","1","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514129","6.4162","0.0013","19.016","0.004","11.412","0.002","90","","92.9","0.03","90","","1390.6","0.5","25","","12","","","","","","","","","4","P 1 21 1","P 2yb","4","Barium hydrogen maleate","","","- C16 H28 Ba2 O24 -","- C16 H28 Ba2 O24 -","- C32 H56 Ba4 O48 -","2","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0429","0.0359","","0.027","0.0229","0.0223","","","","","","0.9996","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514130","10.192","0.002","11.756","0.002","6.6189","0.0013","90","","103.66","0.03","90","","770.6","0.3","25","","12","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium hydrogen maleate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.063","0.0404","","0.0565","0.0458","0.0434","","","","","","0.9999","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514131","11.724","0.002","19.637","0.004","6.3269","0.0013","90","","90","","90","","1456.6","0.5","25","","12","","","","","","","","","4","P n m a","-P 2ac 2n","62","Calcium hydrogen maleate","","","- C8 H16 Ca O13 -","- C8 H16 Ca O13 -","- C32 H64 Ca4 O52 -","4","0.5","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.1","0.0689","","0.125","0.1028","0.0978","","","","","","0.9999","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514132","7.8515","0.0016","5.5447","0.0011","10.921","0.002","90","","96.39","0.03","90","","472.48","0.16","25","","12","","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium hydrogen maleate","","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0336","0.0274","","0.0229","0.021","0.0209","","","","","","0.9991","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514133","5.8334","0.0012","5.9257","0.0012","18.803","0.004","90","","91.3","0.03","90","","649.8","0.2","25","","12","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lithium hydrogen maleate","","","- C4 H7 Li O6 -","- C4 H7 Li O6 -","- C16 H28 Li4 O24 -","4","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.1251","0.0658","","0.1635","0.1125","0.0947","","","","","","0.9997","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514294","10.37402","0.00014","10.37402","0.00014","6.25935","0.00009","90","","90","","120","","583.383","0.014","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","disodium tetracalcium pentacarbonate","","- C5 Ca4 Na2 O15 -","- C5 Ca3.9999 Na2.0001 O15 -","- C10 Ca7.9998 Na4.0002 O30 -","2","0.166667","","Rashchenko, Sergey V.; Bakakin, Vladimir V.; Shatskiy, Anton F.; Gavryushkin, Pavel N.; Seryotkin, Yurii V.; Litasov, Konstantin D.","Noncentrosymmetric Na2Ca4(CO3)5 Carbonate of “M13M23XY3Z” Structural Type and Affinity between Borate and Carbonate Structures for Design of New Optical Materials","Crystal Growth & Design","2017","17","11","6079","","10.1021/acs.cgd.7b01161","","","0.71073","MoKα","","0.0205","0.0199","","","0.0499","0.0505","","","","","","1.155","","","","has coordinates","203308","2020-10-21","18:00:00",""
"4518390","7.9866","0.0003","11.0761","0.0004","17.215","0.0006","90.6702","0.0017","99.6908","0.0017","99.059","0.0017","1481.25","0.09","110","","110","","","","","","","","","6","P -1","-P 1","2","","N2,N2-dimethyl-N4-(3-(2-(pentafluorophenyl)vinyl)phenyl) -N6-phenyl-1,3,5-triazine-2,4,6-triamine dimethyl sulfoxide solvate","","- C29 H31 F5 N6 O2 S2 -","- C29 H31 F5 N6 O2 S2 -","- C58 H62 F10 N12 O4 S4 -","2","1","","Laventure, Audrey; Maris, Thierry; Pellerin, Christian; Lebel, Olivier","Glass versus Crystal: A Balancing Act between Competing Intermolecular Interactions","Crystal Growth and Design","2017","17","","2365","2373","10.1021/acs.cgd.6b01567","","x-ray","1.34139","GaKα","","0.0675","0.0563","","","0.1449","0.1537","","","","","","1.027","","","","has coordinates,has disorder","301843","2025-08-21","01:59:40",""
"4518391","8.0372","0.0007","9.8143","0.0008","14.91","0.0012","87.061","0.005","76.319","0.005","84.542","0.005","1137.04","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","N2-(3,5-dimethylphenyl)-N4-methyl-N6- (3-(2-(pentafluorophenyl)vinyl)phenyl)-1,3,5-triazine-2,4,6-triamine","","- C26 H21 F5 N6 -","- C26 H21 F5 N6 -","- C52 H42 F10 N12 -","2","1","","Laventure, Audrey; Maris, Thierry; Pellerin, Christian; Lebel, Olivier","Glass versus Crystal: A Balancing Act between Competing Intermolecular Interactions","Crystal Growth and Design","2017","17","","2365","2373","10.1021/acs.cgd.6b01567","","x-ray","1.34139","GaKα","","0.069","0.055","","","0.1487","0.1614","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518392","3.8118","0.0004","10.0388","0.0009","12.9838","0.0012","90","","91.328","0.007","90","","496.7","0.08","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","","(2,2'-bipyridine)-6,6'-dicarbonitrile","","- C12 H6 N4 -","- C12 H6 N4 -","- C24 H12 N8 -","2","0.5","","Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam","Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile","Crystal Growth and Design","2017","17","","5242","5248","10.1021/acs.cgd.7b00777","","","1.54178","CuKα","","0.0451","0.034","","","0.0757","0.0809","","","","","","0.989","","","","has coordinates,has Fobs","301843","2025-08-21","01:59:40",""
"4518393","3.7577","0.0002","5.8815","0.0004","10.9271","0.0007","94.985","0.004","94.575","0.004","94.803","0.004","238.82","0.03","150","","150","","","","","","","","","3","P -1","-P 1","2","","(2,2'-bipyridine)-5,5'-dicarbonitrile","","- C12 H6 N4 -","- C12 H6 N4 -","- C12 H6 N4 -","1","0.5","","Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam","Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile","Crystal Growth and Design","2017","17","","5242","5248","10.1021/acs.cgd.7b00777","","x-ray","1.34139","GaKα","","0.1165","0.0862","","","0.2565","0.2921","","","","","","1.13","","","","has coordinates,has Fobs","301843","2025-08-21","01:59:40",""
"4518394","10.3518","0.0015","15.7549","0.0019","13.4816","0.0018","90","","106.318","0.009","90","","2110.2","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","1,10-phenanthroline-5,6-dicarbonitrile","","- C14 H6 N4 -","- C14 H6 N4 -","- C112 H48 N32 -","8","2","","Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam","Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile","Crystal Growth and Design","2017","17","","5242","5248","10.1021/acs.cgd.7b00777","","","1.54178","CuKα","","0.0323","0.0322","","","0.0771","0.0771","","","","","","1.093","","","","has coordinates","301843","2025-08-21","01:59:40",""
"4518395","6.9215","0.0002","14.7012","0.0003","10.7329","0.0002","90","","90","","90","","1092.12","0.04","150","","150","","","","","","","","Synthesized by the authors. See text","3","P n a 21","P 2c -2n","33","","1,10-phenanthroline-4,7-dicarbonitrile","","- C14 H6 N4 -","- C14 H6 N4 -","- C56 H24 N16 -","4","1","","Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam","Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile","Crystal Growth and Design","2017","17","","5242","5248","10.1021/acs.cgd.7b00777","","","1.54178","CuKα","","0.0384","0.0318","","","0.0802","0.0845","","","","","","1.092","","","","has coordinates","301843","2025-08-21","01:59:40",""
"5000174","10.27","0.001","10.839","0.001","11.278","0.001","90","","100.53","0.01","90","","1234.29","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","","Näther, Christian; Bock, Hans; Havlas, Zdenek; Hauck, Tim","Solvent-Shared and Solvent-Separated Ion Multiples of Perylene Radical Anions and Dianions: An Exemplary Case of Alkali Metal Cation Solvation","Organometallics","1998","17","21","4707","4715","10.1021/om970610g","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""
"7156298","8.719","0.002","9.572","0.002","12.839","0.003","73.103","0.003","81.352","0.003","77.937","0.003","998","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 F2 O2 -","- C26 H30 F2 O2 -","- C52 H60 F4 O4 -","2","1","","Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.","An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.","Organic & biomolecular chemistry","2019","17","7","1854","1861","10.1039/c8ob01273c","","","0.71073","MoKα","","0.072","0.0526","","","0.1284","0.1389","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156299","14.3431","0.0018","9.3243","0.0012","15.4742","0.0019","90","","111.719","0.002","90","","1922.6","0.4","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(5aS,5bS)-5a,5b-diphenyltetradecahydrocyclobuta[1,2:3,4]di[7]annulene","","- C26 H32 -","- C26 H32 -","- C104 H128 -","4","1","","Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.","An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.","Organic & biomolecular chemistry","2019","17","7","1854","1861","10.1039/c8ob01273c","","","0.71073","MoKα","","0.0778","0.0464","","","0.0975","0.1116","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156300","24.779","0.003","8.6962","0.001","17.543","0.002","90","","100.152","0.002","90","","3721","0.8","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(5aS,5bS,10aS,10bS)-5a,5b-di(pyridin-2-yl)tetradecahydrocyclobuta[1,2:3,4]di[7]annulene","","- C24 H30 N2 -","- C24 H30 N2 -","- C192 H240 N16 -","8","1","","Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.","An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.","Organic & biomolecular chemistry","2019","17","7","1854","1861","10.1039/c8ob01273c","","","0.71073","MoKα","","0.0565","0.0495","","","0.1293","0.1339","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156392","6.6421","0.0005","9.7101","0.0007","15.1008","0.001","90","","97.188","0.007","90","","966.28","0.12","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Lu, Yandong; Zhao, Shan; Zhou, Shijie; Chen, Si-Cong; Luo, Tuoping","Enantioselective syntheses and application of 4-epi-galiellalactone and the corresponding activity-based probe: from strained bicycles to strained tricycles.","Organic & biomolecular chemistry","2019","17","7","1886","1892","10.1039/c8ob01915k","","","0.7107","MoKα","","0.0768","0.0501","","","0.1126","0.1269","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156464","9.8049","0.0009","9.8109","0.001","11.398","0.0012","87.971","0.004","75.802","0.004","85.937","0.004","1060.08","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H23 O3 -","- C27 H23 O3 -","- C54 H46 O6 -","2","1","","Yaragorla, Srinivasarao; Rajesh, P.","Regiospecific formal [3 + 2] annulation of tert-propargyl alcohols with acyclic 1,3-diketones via the cycloisomerization of homoallenyl ketones.","Organic & biomolecular chemistry","2019","17","7","1924","1928","10.1039/c8ob02158a","","","0.71073","MoKα","","0.0779","0.0603","","","0.1658","0.1761","","","","","","1.065","","","","has coordinates","225210","2020-10-21","18:00:00",""
"7156465","9.9166","0.0011","10.0554","0.0013","12.1593","0.0015","106.883","0.005","98.953","0.005","94.007","0.005","1137.6","0.2","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H26 O3 -","- C28 H26 O3 -","- C56 H52 O6 -","2","1","","Yaragorla, Srinivasarao; Rajesh, P.","Regiospecific formal [3 + 2] annulation of tert-propargyl alcohols with acyclic 1,3-diketones via the cycloisomerization of homoallenyl ketones.","Organic & biomolecular chemistry","2019","17","7","1924","1928","10.1039/c8ob02158a","","","0.71073","MoKα","","0.1298","0.0607","","","0.1322","0.1611","","","","","","0.956","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156490","7.942","0.004","16.844","0.01","17.488","0.011","90","","90","","90","","2339","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-benzoyl-3-(dibenzo[b,d]thophen-4-yl)-8a-methyl-3,4,4a,5-tetrahydro-2H chromen-6(8a H)-one","","- C29 H24 O3 S -","- C29 H24 O3 S -","- C116 H96 O12 S4 -","4","1","","Jadhav, Sandip B.; Thopate, Satish B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Rh-Catalyzed diastereoselective desymmetrization of enone tethered-cyclohexadienones via tandem arylative cyclization.","Organic & biomolecular chemistry","2019","17","7","1937","1946","10.1039/c8ob02284d","","","0.71073","MoKα","","0.1013","0.0529","","","0.123","0.1498","","","","","","0.922","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156524","4.9268","0.0004","7.7","0.0007","12.5316","0.001","89.531","0.007","82.298","0.007","77.518","0.007","459.87","0.07","143","2","143","2","","","","","","","","5","P -1","-P 1","2","KH-86","","","- C8 H6 Cl2 O2 S -","- C8 H6 Cl2 O2 S -","- C16 H12 Cl4 O4 S2 -","2","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0457","0.0361","","","0.0763","0.0828","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156525","19.3829","0.0007","11.6584","0.0004","12.0827","0.0004","90","","127.88","0.001","90","","2155.08","0.13","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","KH-106","","","- C20 H33 B O2 S2 -","- C20 H33 B O2 S2 -","- C80 H132 B4 O8 S8 -","4","0.5","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0342","0.0282","","","0.0668","0.0719","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156526","12.7042","0.0013","7.6415","0.0007","19.807","0.002","90","","102.369","0.004","90","","1878.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KH-85-Ic","","","- C21 H18 Cl2 O3 S -","- C21 H18 Cl2 O3 S -","- C84 H72 Cl8 O12 S4 -","4","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0586","0.0417","","","0.0859","0.0928","","","","","","1.152","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156527","16.0174","0.0011","15.9817","0.001","7.3482","0.0006","90","","90","","90","","1881","0.2","106","2","106","2","","","","","","","","5","P c a 21","P 2c -2ac","29","KH-114","","","- C21 H18 Cl2 O3 S -","- C21 H18 Cl2 O3 S -","- C84 H72 Cl8 O12 S4 -","4","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.041","0.0374","","","0.0814","0.0829","","","","","","1.156","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156528","9.3294","0.0002","21.9444","0.0006","10.2119","0.0003","90","","104.342","0.001","90","","2025.51","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KH-116-Z","","","- C21 H18 Cl2 O4 S -","- C21 H18 Cl2 O4 S -","- C84 H72 Cl8 O16 S4 -","4","1","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0603","0.0429","","","0.0972","0.1068","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156529","12.7347","0.0014","14.3201","0.0015","22.21","0.002","90","","106.007","0.003","90","","3893.2","0.7","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KH-111","","","- C21 H18 Cl2 O4 S -","- C21 H18 Cl2 O4 S -","- C168 H144 Cl16 O32 S8 -","8","2","","Hoffmann, Kerstin; Mayer, Peter; Dube, Henry","A hemithioindigo molecular motor for metal surface attachment.","Organic & biomolecular chemistry","2019","17","7","1979","1983","10.1039/c8ob02424c","","","0.71073","MoKα","","0.0438","0.0339","","","0.0869","0.0932","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156541","5.8336","0.0006","11.4947","0.0015","14.982","0.002","77.575","0.005","81.412","0.005","77.375","0.004","951.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Bhajammanavar, Vinod; Mallik, Sumitava; Baidya, Mahiuddin","Oxidative cross-dehydrogenative [2 + 3] annulation of α-amino ketones with α-keto esters: concise synthesis of clausenamide analogues.","Organic & biomolecular chemistry","2019","17","7","1740","1743","10.1039/c8ob02369g","","","0.71073","MoKα","","0.085","0.0512","","","0.1273","0.151","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156552","15.1112","0.0004","15.5876","0.0005","31.4003","0.0009","90","","90","","90","","7396.3","0.4","150","2","150.02","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H68 Cl4 F12 N4 O8 S4 -","- C68 H68 Cl4 F12 N4 O8 S4 -","- C272 H272 Cl16 F48 N16 O32 S16 -","4","1","","Qin, Tian; Jiang, Quanbin; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral selenide-catalyzed enantioselective synthesis of trifluoromethylthiolated 2,5-disubstituted oxazolines.","Organic & biomolecular chemistry","2019","17","7","1763","1766","10.1039/c8ob02575d","","x-ray","1.54184","CuKα","","0.0805","0.0566","","","0.1316","0.1466","","","","","","1.018","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156573","11.0331","0.0007","11.2615","0.0007","19.3004","0.0013","92.446","0.002","93.38","0.002","111.994","0.002","2214.2","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N4 O2 S -","- C27 H22 N4 O2 S -","- C108 H88 N16 O8 S4 -","4","2","","Samala, Srinivas; Ryu, Do Hyun; Song, Choong Eui; Yoo, Eun Jeong","Multicomponent dipolar cycloadditions: efficient synthesis of polycyclic fused pyrrolizidines via azomethine ylides.","Organic & biomolecular chemistry","2019","17","7","1773","1777","10.1039/c8ob02463d","","","0.71073","MoKα","","0.0534","0.0442","","","0.1202","0.1288","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156580","6.8362","0.0001","15.7227","0.0003","10.0317","0.0001","90","","95.182","0.001","90","","1073.84","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H25 O9 -","- C22 H25 O9 -","- C44 H50 O18 -","2","1","","Nayak, Sabita; Panda, Pravati; Raiguru, Bishnu Prasad; Mohapatra, Seetaram; Purohit, Chandra Shekhar","Base mediated green synthesis of enantiopure 2-C-spiro-glycosyl-3-nitrochromenes.","Organic & biomolecular chemistry","2018","17","1","74","82","10.1039/c8ob02278j","","x-ray","1.54184","CuKα","","0.0502","0.0497","","","0.1455","0.1466","","","","","","1.1","","","","has coordinates","225077","2020-10-21","18:00:00",""
"7156590","15.1652","0.0008","15.1364","0.0013","19.9955","0.0013","90","","106.48","0.006","90","","4401.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N O3 -","- C29 H23 N O3 -","- C232 H184 N8 O24 -","8","2","","Haldar, Surajit; Jana, Chandan K.","Direct (het)arylation of tetrahydroisoquinolines via a metal and oxidant free C(sp<sup>3</sup>)-H functionalization enabled three component reaction.","Organic & biomolecular chemistry","2019","17","7","1800","1804","10.1039/c8ob02309c","","","0.71073","MoKα","","0.1957","0.0905","","","0.1964","0.3323","","","","","","1.192","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156596","16.7527","0.0011","9.2802","0.0006","19.428","0.0011","90","","90","","90","","3020.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2.53 H2.27 N0.13 O0.13 -","- C2.53333 H2.26667 N0.133333 O0.133333 -","- C152 H136 N8 O8 -","60","7.5","","Xiao, Jun-An; Cheng, Xiu-Liang; Li, Yu-Chun; He, Yi-Miao; Li, Jin-Lian; Liu, Zhi-Ping; Xia, Peng-Ju; Su, Wei; Yang, Hua","Palladium-catalysed ring-opening [3 + 2]-annulation of spirovinylcyclopropyl oxindole to diastereoselectively access spirooxindoles.","Organic & biomolecular chemistry","2018","17","1","103","107","10.1039/c8ob02859a","","","0.71073","MoKα","","0.0748","0.0534","","","0.1286","0.1428","","","","","","1.007","","","","has coordinates","225082","2020-10-21","18:00:00",""
"7156597","8.9496","0.0003","9.6224","0.0003","14.1054","0.0005","100.823","0.0011","90.1216","0.0011","110.257","0.001","1116.34","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Cl N2 O3 -","- C27 H23 Cl N2 O3 -","- C54 H46 Cl2 N4 O6 -","2","1","","Xiao, Jun-An; Cheng, Xiu-Liang; Li, Yu-Chun; He, Yi-Miao; Li, Jin-Lian; Liu, Zhi-Ping; Xia, Peng-Ju; Su, Wei; Yang, Hua","Palladium-catalysed ring-opening [3 + 2]-annulation of spirovinylcyclopropyl oxindole to diastereoselectively access spirooxindoles.","Organic & biomolecular chemistry","2018","17","1","103","107","10.1039/c8ob02859a","","","0.71076","MoKα","","0.0578","0.0446","","","0.1129","0.121","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156598","10.5281","0.001","7.794","0.0009","25.907","0.002","90","","90","","90","","2125.8","0.4","294.63","0.1","294.63","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Br I N -","- C10 H7 Br I N -","- C80 H56 Br8 I8 N8 -","8","1","","Wang, Fang; Zhang, Xinying; He, Yan; Fan, Xuesen","Selective synthesis of pyrrolidin-2-ones and 3-iodopyrroles via the ring contraction and deformylative functionalization of piperidine derivatives.","Organic & biomolecular chemistry","2018","17","1","156","164","10.1039/c8ob02640h","","x-ray","0.71073","MoKα","","0.1534","0.1155","","","0.2883","0.3252","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156599","13.856","0.002","6.4827","0.0011","28.807","0.003","90","","90","","90","","2587.6","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-arylquinoline","","- C16 H12 Br N -","- C16 H12 Br N -","- C128 H96 Br8 N8 -","8","1","","Gattu, Radhakrishna; Mondal, Santa; Ali, Saghir; Khan, Abu T.","Iodine monobromide catalysed regioselective synthesis of 3-arylquinolines from α-aminoacetophenones and trans-β-nitrostyrenes.","Organic & biomolecular chemistry","2019","17","2","347","353","10.1039/c8ob02333f","","","0.71073","MoKα","","0.1828","0.08","","","0.1102","0.1334","","","","","","1.104","","","","has coordinates","225139","2020-10-21","18:00:00",""
"7156600","11.6212","0.0012","6.9157","0.0008","12.8041","0.0014","90","","109.534","0.003","90","","969.82","0.18","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C48 H44 N4 O6 -","2","1","","Motaghi, Milad; Khosravi, Hormoz; Balalaie, Saeed; Rominger, Frank","Catalytic formal [4 + 1] isocyanide-based cycloaddition: an efficient strategy for the synthesis of 1H-cyclopenta[b]quinolin-1-one derivatives.","Organic & biomolecular chemistry","2019","17","2","275","282","10.1039/c8ob02857e","","","0.71073","MoKα","","0.1131","0.0546","","","0.1068","0.1308","","","","","","1.008","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156601","13.856","0.002","6.4827","0.0011","28.807","0.003","90","","90","","90","","2587.6","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-arylquinoline","","- C16 H12 Br N -","- C16 H12 Br N -","- C128 H96 Br8 N8 -","8","1","","Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S","Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates.","Organic & biomolecular chemistry","2019","17","2","283","289","10.1039/c8ob02872a","","","0.71073","MoKα","","0.1828","0.08","","","0.1102","0.1334","","","","","","1.104","","","","has coordinates","225142","2020-10-21","18:00:00",""
"7156602","14.943","0.006","10.893","0.005","16.259","0.006","90","","90.199","0.01","90","","2646.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(3-methoxyphenyl)-3-(methylsulfonyl)-2-(tosylmethyl)-3,4-dihydrobenzo[f]isoquinoline","","- C29 H27 N O5 S2 -","- C29 H27 N O5 S2 -","- C116 H108 N4 O20 S8 -","4","1","","Undeela, Sridhar; Chandra, Rajesh; Nanubolu, Jagadeesh Babu; Menon, Rajeev S.","Gold-catalysed regioselective cascade cycloisomerisation reactions of aza-enediynes for the synthesis of substituted benzoisoquinoline derivatives.","Organic & biomolecular chemistry","2019","17","2","369","373","10.1039/c8ob02544d","","","0.71073","MoKα","","0.0482","0.0394","","","0.1185","0.1247","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156603","10.8594","0.0004","7.3763","0.0003","15.5152","0.0007","90","","92.469","0.003","90","","1241.65","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H39 N3 O6 -","- C27 H39 N3 O6 -","- C54 H78 N6 O12 -","2","1","","Alkayar, Ziad T. I.; Coldham, Iain","Cascade cyclization and intramolecular nitrone dipolar cycloaddition and formal synthesis of 19-hydroxyibogamine.","Organic & biomolecular chemistry","2018","17","1","66","73","10.1039/c8ob02839g","","","1.54178","CuKα","","0.0679","0.0451","","","0.0994","0.1112","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156604","10.1801","0.0004","10.2257","0.0014","21.1176","0.0012","90","","103.581","0.01","90","","2136.8","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br N3 O -","- C25 H24 Br N3 O -","- C100 H96 Br4 N12 O4 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Wang, Zhan-Yong; Hu, Meng-Wei; Qiu, Ting-Ting; Zhu, Bao-Ku","Cross 1,3-dipolar cycloadditions of C,N-cyclic azomethine imines with an N-benzyl azomethine ylide: facile access to fused tricyclic 1,2,4-hexahydrotriazines.","Organic & biomolecular chemistry","2019","17","2","244","247","10.1039/c8ob02932f","","","","","","0.106","","","","","","","","","","","","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156605","10.5966","0.0001","7.8609","0.0001","11.8783","0.0001","90","","114.143","0.001","90","","902.899","0.018","99.97","0.19","99.97","0.19","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11.5 H10.5 N1.5 O -","- C11.5 H10.5 N1.5 O -","- C46 H42 N6 O4 -","4","2","","Liu, Zhiwen; Ma, Liang; Zhang, Liping; Zhang, Wenjun; Zhu, Yiguang; Chen, Yuchan; Zhang, Weimin; Zhang, Changsheng","Functional characterization of the halogenase SpmH and discovery of new deschloro-tryptophan dimers.","Organic & biomolecular chemistry","2019","17","5","1053","1057","10.1039/c8ob02775g","","x-ray","1.54184","CuKα","","0.0295","0.0291","","","0.0736","0.0739","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156606","6.9268","0.0004","7.6212","0.0004","39.643","0.003","90","","90","","90","","2092.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O11 -","- C20 H32 O11 -","- C80 H128 O44 -","4","1","","Wang, Junfeng; Qin, Li; Zhao, Biqing; Cai, Liang; Zhong, Zhenping; Liu, Yonghong; Zhou, Xiaojiang","Crotonols A and B, two rare tigliane diterpenoid derivatives against K562 cells from Croton tiglium.","Organic & biomolecular chemistry","2018","17","1","195","202","10.1039/c8ob02519c","","","1.54178","CuKα","","0.1013","0.0777","","","0.1777","0.1902","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156607","7.1064","0.0012","10.3163","0.0018","15.973","0.002","90","","90","","90","","1171","0.3","110","","110","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Xu, Dawen; Kaiser, Felix; Li, Han; Reich, Robert M.; Guo, Hao; Kühn, Fritz E","Highly selective AlCl<sub>3</sub> initiated intramolecular α-alkylation of α,β-unsaturated lactams and lactones.","Organic & biomolecular chemistry","2018","17","1","49","52","10.1039/c8ob02961j","","x-ray","0.71073","MoKα","","0.0291","0.0279","","","0.0731","0.0736","","","","","","1.083","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156608","38.238","0.002","10.441","0.0005","17.4643","0.0009","90","","98.199","0.002","90","","6901.2","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H51 N2 Sc Si2 -","- C31 H51 N2 Sc Si2 -","- C248 H408 N16 Sc8 Si16 -","8","1","","Su, Jianhong; Zhou, Yiqun; Xu, Xin","Hydroaminoalkylation of sterically hindered alkenes with N,N-dimethyl anilines using a scandium catalyst.","Organic & biomolecular chemistry","2019","17","7","2013","2019","10.1039/c8ob02657b","","","0.71073","MoKα","","0.076","0.0425","","","0.0976","0.1188","","","","","","1.053","","","","has coordinates","225209","2020-10-21","18:00:00",""
"7156609","11.436","0.0006","8.3742","0.0004","14.1928","0.0008","90","","94.648","0.002","90","","1354.74","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N O3 -","- C15 H10 Br N O3 -","- C60 H40 Br4 N4 O12 -","4","1","","da Silva, Vitor A. F.; da Silva, Gustavo P.; Matsuo, Bianca T.; Ali, Akbar; Davis, Rebecca L.; Zukerman-Schpector, Julio; Corrêa, Arlene G; Paixão, Márcio W","Synthesis of (Z)-β-halo α,β-unsaturated carbonyl systems via the combination of halotrimethylsilane and tetrafluoroboric acid.","Organic & biomolecular chemistry","2019","17","3","519","526","10.1039/c8ob02110d","","","0.71073","MoKα","","0.0454","0.0347","","","0.09","0.0958","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156610","8.5538","0.0005","28.5184","0.0014","9.9217","0.0005","90","","104.085","0.005","90","","2347.5","0.2","298","2","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 Br N2 O8 -","- C25 H21 Br N2 O8 -","- C100 H84 Br4 N8 O32 -","4","1","","Bakthadoss, Manickam; Jayakumar, Srinivasan; Raman, Selvakumar; Devaraj, Anthonisamy; Sharada, Duddu S.","A novel multicomponent quadruple/double quadruple domino reaction: highly efficient synthesis of polyheterocyclic architectures.","Organic & biomolecular chemistry","2019","17","16","3884","3893","10.1039/c8ob02970a","","","0.71073","MoKα","","0.0835","0.0463","","","0.0808","0.093","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156611","8.0079","0.0007","10.6912","0.0011","12.9965","0.0011","79.773","0.008","82.666","0.007","69.817","0.008","1025.11","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Br N2 O6 -","- C22 H17 Br N2 O6 -","- C44 H34 Br2 N4 O12 -","2","1","","Bakthadoss, Manickam; Jayakumar, Srinivasan; Raman, Selvakumar; Devaraj, Anthonisamy; Sharada, Duddu S.","A novel multicomponent quadruple/double quadruple domino reaction: highly efficient synthesis of polyheterocyclic architectures.","Organic & biomolecular chemistry","2019","17","16","3884","3893","10.1039/c8ob02970a","","","0.71073","MoKα","","0.101","0.0491","","","0.0872","0.1046","","","","","","0.995","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156612","7.552","0.0011","8.2283","0.0011","12.801","0.0018","74.726","0.004","86.674","0.005","72.819","0.004","732.95","0.18","300","2","300","2","","","","","","","","5","P -1","-P 1","2","4'-(4-nitrophenyl)spiro[indene-2,5'-[1,4,2]oxathiazol]-1(3H)-one-4'-oxide","","","- C16 H10 N2 O5 S -","- C16 H10 N2 O5 S -","- C32 H20 N4 O10 S2 -","2","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","0.71073","MoKα","","0.0643","0.051","","","0.1583","0.1729","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156613","11.0131","0.0002","11.9246","0.0002","14.5681","0.0003","90","","107.106","0.001","90","","1828.55","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C80 H76 N4 O12 S4 -","4","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","1.54178","CuKα","","0.0562","0.0549","","","0.1588","0.16","","","","","","1.06","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156614","14.0083","0.001","8.7108","0.0006","11.5419","0.0008","90","","105.733","0.002","90","","1355.62","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F2 N O2 S -","- C16 H9 F2 N O2 S -","- C64 H36 F8 N4 O8 S4 -","4","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","1.54178","CuKα","","0.0335","0.0328","","","0.092","0.0927","","","","","","1.1","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156615","15.237","0.003","11.212","0.002","17.948","0.003","90","","90","","90","","3066.2","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H12 F N O3 S -","- C17 H12 F N O3 S -","- C136 H96 F8 N8 O24 S8 -","8","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","1.54178","CuKα","","0.0449","0.0448","","","0.1302","0.1303","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156616","7.342","0.002","8.954","0.003","11.714","0.003","70.226","0.009","83.607","0.009","72.23","0.009","690.1","0.4","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N O3 S -","- C16 H11 N O3 S -","- C32 H22 N2 O6 S2 -","2","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","0.71073","MoKα","","0.0503","0.0405","","","0.108","0.1166","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156617","8.1792","0.0013","22.368","0.004","9.641","0.0015","90","","90.631","0.003","90","","1763.7","0.5","293","","293","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Cl F O2 -","- C19 H18 Cl F O2 -","- C76 H72 Cl4 F4 O8 -","4","2","","Schlinquer, Claire; Huang, Wei-Sheng; Chen, Ling; Poisson, Thomas; Pannecoucke, Xavier; Charette, André B; Jubault, Philippe","Rhodium catalysed enantioselective synthesis of mono-(halo)-methyl-cyclopropanes.","Organic & biomolecular chemistry","2019","17","3","472","476","10.1039/c8ob03041c","","x-ray","0.71073","MoKα","","0.0872","0.0569","","","0.1388","0.1615","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156618","6.1601","0.0007","16.0224","0.0018","16.6437","0.0019","90","","99.193","0.002","90","","1621.6","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Shen, Jiabin; Xu, Jun; Cai, Heng; Shen, Chao; Zhang, Pengfei","Platinum(ii)-catalyzed selective para C-H alkoxylation of arylamines through a coordinating activation strategy.","Organic & biomolecular chemistry","2019","17","3","490","497","10.1039/c8ob02942c","","","0.71073","MoKα","","0.0662","0.0432","","","0.1025","0.1175","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156619","5.9701","0.0002","7.3338","0.0003","31.4408","0.0013","90","","90","","90","","1376.59","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br Cl N2 O2 -","- C13 H10 Br Cl N2 O2 -","- C52 H40 Br4 Cl4 N8 O8 -","4","1","","Yu, Kun-Ming; Zhu, Hui-Kai; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","Organocatalyzed asymmetric tandem conjugate addition-protonation of isocyanoacetates to 2-chloroacrylonitrile.","Organic & biomolecular chemistry","2019","17","3","639","645","10.1039/c8ob02833h","","","0.71073","MoKα","","0.0256","0.0235","","","0.056","0.0569","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156620","10.3681","0.0006","11.3036","0.0006","13.4537","0.0008","90","","111.487","0.004","90","","1467.15","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Khopade, Tushar M.; Warghude, Prakash K.; Sonawane, Amol D.; Bhat, Ramakrishna G.","Multicomponent synthesis of pyroglutamic acid derivatives via Knoevenagel-Michael-hydrolysis-lactamization-decarboxylation (KMHL-D) sequence.","Organic & biomolecular chemistry","2019","17","3","561","566","10.1039/c8ob02473a","","","1.54178","CuKα","","0.0841","0.0622","","","0.169","0.1845","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156621","7.3603","0.0007","16.4621","0.0016","24.344","0.002","90","","90","","90","","2949.7","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 N O3 -","- C36 H49 N O3 -","- C144 H196 N4 O12 -","4","1","","Khusnutdinova, Elmira F.; Kazakova, Oxana B.; Lobov, Alexander N.; Kukovinets, Olga S.; Suponitsky, Kyrill Yu; Meyers, Craig B.; Prichard, Mark N.","Synthesis of A-ring quinolones, nine-membered oxolactams and spiroindoles by oxidative transformations of 2,3-indolotriterpenoids.","Organic & biomolecular chemistry","2019","17","3","585","597","10.1039/c8ob02624f","","","0.71073","MoKα","","0.0806","0.0493","","","0.0955","0.1074","","","","","","0.996","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156622","7.2468","0.0001","11.3553","0.0002","12.5163","0.0002","90","","98.095","0.001","90","","1019.7","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 Cl O2 Rh -","- C21 H26 Cl O2 Rh -","- C42 H52 Cl2 O4 Rh2 -","2","1","","Ng, Fo-Ning; Chan, Chun-Ming; Li, Jianbin; Sun, Mingzi; Lu, Yin-Suo; Zhou, Zhongyuan; Huang, Bolong; Yu, Wing-Yiu","[Rh<sup>III</sup>(Cp*)]-catalyzed arylfluorination of α-diazoketoesters for facile synthesis of α-aryl-α-fluoroketoesters.","Organic & biomolecular chemistry","2019","17","5","1191","1201","10.1039/c8ob02801j","","","0.71073","MoKα","","0.0222","0.0194","","","0.0479","0.0502","","","","","","1.001","","","","has coordinates","225100","2020-10-21","18:00:00",""
"7156623","8.2888","0.0004","8.8488","0.0005","17.556","0.0009","79.844","0.002","81.31","0.001","89.519","0.001","1252.71","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Br Cl O2 Rh -","- C27 H29 Br Cl O2 Rh -","- C54 H58 Br2 Cl2 O4 Rh2 -","2","1","","Ng, Fo-Ning; Chan, Chun-Ming; Li, Jianbin; Sun, Mingzi; Lu, Yin-Suo; Zhou, Zhongyuan; Huang, Bolong; Yu, Wing-Yiu","[Rh<sup>III</sup>(Cp*)]-catalyzed arylfluorination of α-diazoketoesters for facile synthesis of α-aryl-α-fluoroketoesters.","Organic & biomolecular chemistry","2019","17","5","1191","1201","10.1039/c8ob02801j","","","0.71073","MoKα","","0.0331","0.0263","","","0.0713","0.0811","","","","","","1.002","","","","has coordinates","225100","2020-10-21","18:00:00",""
"7156624","13.391","0.017","10.239","0.013","21.4","0.03","90","","106.18","0.03","90","","2818","6","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C140 H120 O20 -","- C140 H120 O20 -","- C140 H120 O20 -","1","0.5","","Intakaew, Neeranuth; Rithchumpon, Puracheth; Prommin, Chanatkran; Yimklan, Saranphong; Kungwan, Nawee; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by <sup>1</sup>H-NMR: aromatic influence and chiral alcohol absolute configuration determination.","Organic & biomolecular chemistry","2019","17","3","541","554","10.1039/c8ob02662a","","","0.71073","MoKα","","0.0839","0.041","","","0.0633","0.0717","","","","","","0.802","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156625","11.362","0.0004","15.3627","0.0007","16.0741","0.0007","90","","90","","90","","2805.8","0.2","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 O5 -","- C35 H30 O5 -","- C140 H120 O20 -","4","1","","Intakaew, Neeranuth; Rithchumpon, Puracheth; Prommin, Chanatkran; Yimklan, Saranphong; Kungwan, Nawee; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by <sup>1</sup>H-NMR: aromatic influence and chiral alcohol absolute configuration determination.","Organic & biomolecular chemistry","2019","17","3","541","554","10.1039/c8ob02662a","","","0.71073","MoKα","","0.0557","0.0377","","","0.0862","0.0945","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156626","10.1298","0.0003","18.7025","0.0005","19.0521","0.0005","90","","90","","90","","3609.47","0.17","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Xu, Zhong-Qi; Zheng, Lin-Chuang; Li, Lin; Duan, Lili; Li, Yue-Ming","Metal-free oxysulfonylation and aminosulfonylation of alkenyl oximes: synthesis of sulfonylated isoxazolines and cyclic nitrones.","Organic & biomolecular chemistry","2019","17","4","898","907","10.1039/c8ob02879f","","x-ray","0.71073","MoKα","","0.0483","0.04","","","0.0977","0.1037","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156627","10.2176","0.0005","22.5674","0.0012","10.3343","0.0005","90","","117.499","0.001","90","","2113.7","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","1","","Yang, Yajie; Huang, Jiaqi; Tan, Hailu; Kong, Lingkai; Wang, Mengdan; Yuan, Yang; Li, Yanzhong","Synthesis of cyano-substituted carbazoles via successive C-C/C-H cleavage.","Organic & biomolecular chemistry","2019","17","4","958","965","10.1039/c8ob03031f","","","0.71073","MoKα","","0.0576","0.0443","","","0.1097","0.1214","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156628","6.9632","0.0009","20.434","0.003","28.769","0.003","90","","90","","90","","4093.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O2 -","- C27 H18 N2 O2 -","- C216 H144 N16 O16 -","8","1","","Yang, Yajie; Huang, Jiaqi; Tan, Hailu; Kong, Lingkai; Wang, Mengdan; Yuan, Yang; Li, Yanzhong","Synthesis of cyano-substituted carbazoles via successive C-C/C-H cleavage.","Organic & biomolecular chemistry","2019","17","4","958","965","10.1039/c8ob03031f","","","0.71073","MoKα","","0.0605","0.0431","","","0.113","0.1283","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156629","16.4009","0.0008","7.8236","0.0004","31.4855","0.0017","90","","102.498","0.003","90","","3944.3","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 N2 O2 -","- C27 H18 N2 O2 -","- C216 H144 N16 O16 -","8","1","","Yang, Yajie; Huang, Jiaqi; Tan, Hailu; Kong, Lingkai; Wang, Mengdan; Yuan, Yang; Li, Yanzhong","Synthesis of cyano-substituted carbazoles via successive C-C/C-H cleavage.","Organic & biomolecular chemistry","2019","17","4","958","965","10.1039/c8ob03031f","","","0.71073","MoKα","","0.0497","0.0449","","","0.1154","0.1199","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156630","16.935","0.003","7.2255","0.0011","18.475","0.003","90","","96.243","0.016","90","","2247.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Br N O S0 -","- C28 H20 Br N O -","- C112 H80 Br4 N4 O4 -","4","1","","Li, Shengxiao; Wu, Xin-Xing; Chen, Shufeng","Base-promoted direct synthesis of functionalized N-arylindoles via the cascade reactions of allenic ketones with indoles.","Organic & biomolecular chemistry","2019","17","4","789","793","10.1039/c8ob02921k","","","0.71073","MoKα","","0.1911","0.0768","","","0.1845","0.2287","","","","","","1.04","","","","has coordinates","225127","2020-10-21","18:00:00",""
"7156631","10.9451","0.0003","7.79","0.0002","25.6813","0.0009","90","","95.0229","0.0014","90","","2181.24","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O3 S -","- C26 H22 O3 S -","- C104 H88 O12 S4 -","4","1","","Rajeshkumar, Venkatachalam; Neelamegam, Chinnaraj; Anandan, Sambandam","A one-pot metal-free protocol for the synthesis of chalcogenated furans from 1,4-enediones and thiols.","Organic & biomolecular chemistry","2019","17","4","982","991","10.1039/c8ob03051k","","","0.71073","MoKα","","0.0694","0.0424","","","0.0934","0.1082","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156632","12.09","0.003","12.294","0.003","12.543","0.003","63.859","0.003","70.176","0.003","61.173","0.003","1447.1","0.6","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","2","","Yuan, Fu-Ru; Jiang, Fei; Chen, Ke-Wei; Mei, Guang-Jian; Wu, Qiong; Shi, Feng","Phosphine-catalyzed [4 + 2] cyclization of para-quinone methide derivatives with allenes.","Organic & biomolecular chemistry","2019","17","9","2361","2369","10.1039/c8ob02979b","","","0.71073","MoKα","","0.1393","0.068","","","0.1447","0.1806","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156633","11.2723","0.0008","11.6971","0.0006","10.6896","0.0006","90","","101.099","0.006","90","","1383.1","0.15","223","1","223","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 B N2 O3 -","- C15 H13 B N2 O3 -","- C60 H52 B4 N8 O12 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.71073","MoKα","","0.0979","0.0585","","","0.1461","0.1738","","","","","","0.924","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156634","11.3834","0.0013","10.8026","0.0009","12.7677","0.001","90","","103.589","0.01","90","","1526.1","0.3","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 B2 N2 O3 -","- C15 H16 B2 N2 O3 -","- C60 H64 B8 N8 O12 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.7107","MoKα","","0.1448","0.081","","","0.1694","0.2174","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156635","7.0763","0.0005","9.3343","0.0007","20.5929","0.0014","90","","92.821","0.007","90","","1358.56","0.17","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 B N2 O3 -","- C14 H15 B N2 O3 -","- C56 H60 B4 N8 O12 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.7107","MoKα","","0.0702","0.0514","","","0.1541","0.1853","","","","","","0.653","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156636","14.4042","0.0011","9.165","0.0005","13.235","0.0009","90","","113.504","0.008","90","","1602.2","0.2","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 B N2 O4 -","- C17 H17 B N2 O4 -","- C68 H68 B4 N8 O16 -","4","1","","Pappin, Brighid B.; Garget, Taylor A.; Healy, Peter C.; Simone, Michela I.; Kiefel, Milton J.; Houston, Todd A.","Facile amidinations of 2-aminophenylboronic acid promoted by boronate ester formation.","Organic & biomolecular chemistry","2019","17","4","803","806","10.1039/c8ob02696c","","","0.7107","MoKα","","0.0728","0.0494","","","0.124","0.1521","","","","","","0.583","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156637","19.3333","0.0008","13.2563","0.0005","24.6689","0.001","90","","108.952","0.002","90","","5979.6","0.4","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H46 N2 O2 -","- C51 H46 N2 O2 -","- C306 H276 N12 O12 -","6","3","","Gu, Haorui; Huang, Shaoying; Lin, Xufeng","Iron-catalyzed asymmetric intramolecular cyclopropanation reactions using chiral tetramethyl-1,1'-spirobiindane-based bisoxazoline (TMSI-BOX) ligands.","Organic & biomolecular chemistry","2019","17","5","1154","1162","10.1039/c8ob03065k","","","1.54178","CuKα","","0.0863","0.0802","","","0.2172","0.2237","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156638","16.6576","0.0008","13.2575","0.0006","15.4394","0.0007","90","","109.2","0.002","90","","3220","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cl4 N2 O3 Ru2 -","- C31 H34 Cl4 N2 O3 Ru2 -","- C124 H136 Cl16 N8 O12 Ru8 -","4","1","","Sundar, Saranya; Rengan, Ramesh","Direct synthesis of 2,4,5-trisubstituted imidazoles from primary alcohols by diruthenium(ii) catalysts under aerobic conditions.","Organic & biomolecular chemistry","2019","17","6","1402","1409","10.1039/c8ob02785d","","","0.71073","MoKα","","0.0511","0.0409","","","0.1138","0.1213","","","","","","1.05","","","","has coordinates","225144","2020-10-21","18:00:00",""
"7156639","14.3847","0.0006","13.9665","0.0005","45.3662","0.0017","90","","95.994","0.003","90","","9064.4","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98.25 H44.26 Cl0.77 F40 N8 -","- C98.255 H44.255 Cl0.765 F40 N8 -","- C393.02 H177.02 Cl3.06 F160 N32 -","4","1","","Naito, Wakana; Urakawa, Kazuki; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","Quadruply N-methylated octaphyrin: a helical macrocycle exhibiting chiroptical properties and dynamic conformation changes correlated with helical and inner N-methyl orientations.","Organic & biomolecular chemistry","2019","17","5","1163","1168","10.1039/c8ob03161d","","","0.78224","Synchrotron","","0.3086","0.1066","","","0.2173","0.288","","","","","","0.952","","","","has coordinates","225104","2020-10-21","18:00:00",""
"7156640","10.1785","0.0003","11.8901","0.0004","25.9949","0.0008","90","","90","","90","","3145.99","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Br N O6 -","- C14 H14 Br N O6 -","- C112 H112 Br8 N8 O48 -","8","1","","Chen, Huiqing; Xie, Jia; Xing, Dong; Wang, Jinping; Tang, Jie; Yi, Zhengfang; Xia, Fei; Qiu, Wen-Wei; Yang, Fan","Diastereoselective synthesis of 3,3-disubstituted 3-nitro-4-chromanone derivatives as potential antitumor agents.","Organic & biomolecular chemistry","2019","17","5","1062","1066","10.1039/c8ob02761g","","","0.71073","MoKα","","0.0636","0.0501","","","0.1251","0.1371","","","","","","1.033","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156641","13.2804","0.0005","8.7572","0.0004","21.1478","0.0008","90","","106.224","0.0015","90","","2361.53","0.17","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F8 N2 O2 -","- C30 H12 F8 N2 O2 -","- C120 H48 F32 N8 O8 -","4","1","","Brittain, William D. G.; Cobb, Steven L.","Tetrafluoropyridyl (TFP): a general phenol protecting group readily cleaved under mild conditions.","Organic & biomolecular chemistry","2019","17","8","2110","2115","10.1039/c8ob02899k","","x-ray","0.71073","MoKα","","0.0507","0.0384","","","0.0953","0.1017","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156642","7.4591","0.0017","10.786","0.003","26.797","0.006","90","","91.012","0.006","90","","2155.6","0.9","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 F4 N2 O3 -","- C11 H4 F4 N2 O3 -","- C88 H32 F32 N16 O24 -","8","2","","Brittain, William D. G.; Cobb, Steven L.","Tetrafluoropyridyl (TFP): a general phenol protecting group readily cleaved under mild conditions.","Organic & biomolecular chemistry","2019","17","8","2110","2115","10.1039/c8ob02899k","","x-ray","0.71073","MoKα","","0.1654","0.0662","","","0.112","0.1393","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156643","6.1663","0.0003","11.1767","0.0006","16.5802","0.0008","90","","90","","90","","1142.69","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-3-(4-bromophenyl)isobenzofuran-1(3H)-one","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C56 H36 Br4 O8 -","4","1","","Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S","Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates.","Organic & biomolecular chemistry","2019","17","2","283","289","10.1039/c8ob02872a","","x-ray","1.54178","CuKα","","0.0189","0.0188","","","0.0492","0.0492","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156644","14.8543","0.0004","12.8156","0.0003","16.9743","0.0005","90","","105.02","0.003","90","","3120.95","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br O3 S Se -","- C31 H23 Br O3 S Se -","- C124 H92 Br4 O12 S4 Se4 -","4","1","","Huang, Shengli; Chen, Zhili; Mao, Hui; Hu, Fangli; Li, Dongmei; Tan, Yu; Yang, Fengqing; Qin, Wenling","Metal-free difunctionalization of alkynes to access tetrasubstituted olefins through spontaneous selenosulfonylation of vinylidene ortho-quinone methide (VQM).","Organic & biomolecular chemistry","2019","17","5","1121","1129","10.1039/c8ob02967a","","","0.71073","MoKα","","0.0652","0.0435","","","0.108","0.1184","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156645","12.3922","0.0004","12.8577","0.0004","13.0925","0.0004","81.681","0.002","84.474","0.002","62.506","0.002","1829.98","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N4 O6 -","- C42 H40 N4 O6 -","- C84 H80 N8 O12 -","2","1","","Sengupta, Ayon; Maity, Suvendu; Mondal, Animesh; Ghosh, Prasanta; Rudra, Sonali; Mukhopadhyay, Chhanda","Pseudo five component reaction towards densely functionalized spiro[indole-3,2'-pyrrole] by picric acid, an efficient syn-diastereoselective catalyst: insight into the diastereoselection on C(sp<sup>3</sup>)-C(sp<sup>3</sup>) axial conformation.","Organic & biomolecular chemistry","2019","17","5","1254","1265","10.1039/c8ob02849d","","","0.71073","MoKα","","0.1522","0.087","","","0.2418","0.2905","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156646","10.6167","0.0004","12.0022","0.0004","14.9533","0.0006","101.198","0.002","95.592","0.002","103.53","0.002","1796.75","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H40 Cl2 N4 O5 -","- C39 H40 Cl2 N4 O5 -","- C78 H80 Cl4 N8 O10 -","2","1","","Sengupta, Ayon; Maity, Suvendu; Mondal, Animesh; Ghosh, Prasanta; Rudra, Sonali; Mukhopadhyay, Chhanda","Pseudo five component reaction towards densely functionalized spiro[indole-3,2'-pyrrole] by picric acid, an efficient syn-diastereoselective catalyst: insight into the diastereoselection on C(sp<sup>3</sup>)-C(sp<sup>3</sup>) axial conformation.","Organic & biomolecular chemistry","2019","17","5","1254","1265","10.1039/c8ob02849d","","","0.71073","MoKα","","0.0997","0.0767","","","0.2247","0.2492","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156647","11.5295","0.0003","20.4745","0.0005","17.1131","0.0004","90","","104.29","0.001","90","","3914.74","0.17","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H48 N4 O5 -","- C43 H48 N4 O5 -","- C172 H192 N16 O20 -","4","1","","Sengupta, Ayon; Maity, Suvendu; Mondal, Animesh; Ghosh, Prasanta; Rudra, Sonali; Mukhopadhyay, Chhanda","Pseudo five component reaction towards densely functionalized spiro[indole-3,2'-pyrrole] by picric acid, an efficient syn-diastereoselective catalyst: insight into the diastereoselection on C(sp<sup>3</sup>)-C(sp<sup>3</sup>) axial conformation.","Organic & biomolecular chemistry","2019","17","5","1254","1265","10.1039/c8ob02849d","","","0.71073","MoKα","","0.174","0.0674","","","0.1357","0.1786","","","","","","1.007","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156648","17.0714","0.0012","27.849","0.002","6.8249","0.0003","90","","90","","90","","3244.7","0.4","100","2","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H35 N10 O6.5 -","- C36 H35 N10 O6.5 -","- C144 H140 N40 O26 -","4","1","","Calatrava-Pérez, Elena; Delente, Jason M.; Shanmugaraju, Sankarasekaran; Hawes, Chris S.; Williams, Clive D.; Gunnlaugsson, Thorfinnur; Scanlan, Eoin M.","Glycosylated naphthalimides and naphthalimide Tröger's bases as fluorescent aggregation probes for Con A.","Organic & biomolecular chemistry","2019","17","8","2116","2125","10.1039/c8ob02980f","","x-ray","1.54178","CuKα","","0.0924","0.0754","","","0.1873","0.2039","","","","","","1.082","","","","has coordinates,has disorder","225091","2020-10-21","18:00:00",""
"7156649","16.098","0.0005","16.098","0.0005","10.9326","0.0004","90","","90","","120","","2453.57","0.14","293","2","293","2","","","","","","","","4","P 62","P 62","171","","(R)-3-benzyl-3-((R)-4-hydroxybutan-2-yl)indolin-2-one","","- C38 H42 N2 O4 -","- C38 H42 N2 O4 -","- C114 H126 N6 O12 -","3","0.5","","Cheng, Wen-Fu; Chen, Ling-Yan; Xu, Fang-Fang; Lin, Wei-Yu; Ren, Xinfeng; Li, Ya","Organocatalytic asymmetric Michael addition between 3-subsituted oxindoles and enals catalyzed by camphor sulfonyl hydrazine.","Organic & biomolecular chemistry","2019","17","4","885","891","10.1039/c8ob02934b","","","1.54178","CuKα","","0.0356","0.0325","","","0.0826","0.0855","","","","","","1.05","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156650","27.0176","0.0006","36.9735","0.0008","14.7072","0.0003","90","","90","","90","","14691.5","0.5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C120 H164 N20 O18 -","- C120 H164 N20 O18 -","- C480 H656 N80 O72 -","4","0.25","","Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Nieto-Camacho, Antonio; Ramírez-Apan, Teresa; Miranda, Luis D.","Synthesis of diphenylamine macrocycles and their anti-inflammatory effects.","Organic & biomolecular chemistry","2019","17","6","1423","1435","10.1039/c8ob03121e","","","1.54178","CuKα","","0.0866","0.0701","","","0.1767","0.1927","","","","","","1.123","","","","has coordinates,has disorder","225146","2020-10-21","18:00:00",""
"7156651","23.014","0.007","6.551","0.002","6.696","0.002","90","","90","","90","","1009.5","0.5","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H10 O3 S -","- C11 H10 O3 S -","- C44 H40 O12 S4 -","4","0.5","","Wang, Miao; Tang, Bo-Cheng; Ma, Jin-Tian; Wang, Zi-Xuan; Xiang, Jia-Chen; Wu, Yan-Dong; Wang, Jun-Gang; Wu, An-Xin","I<sub>2</sub>/DMSO-mediated multicomponent reaction of o-hydroxyaryl methyl ketones, rongalite, and DMSO: access to C3-sulfenylated chromones.","Organic & biomolecular chemistry","2019","17","6","1535","1541","10.1039/c8ob02994f","","","0.71073","MoKα","","0.0675","0.0493","","","0.1416","0.1604","","","","","","0.942","","","","has coordinates","225150","2020-10-21","18:00:00",""
"7156652","8.3168","0.0009","9.3791","0.0012","18.018","0.002","92.69","0.003","99.941","0.003","114.17","0.003","1252.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","2","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium ylides: general access to functionalized indolizines and efficient synthesis of 1-fluoroindolizines.","Organic & biomolecular chemistry","2019","17","6","1442","1454","10.1039/c8ob03126f","","","0.71073","MoKα","","0.0951","0.0576","","","0.124","0.1484","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156653","9.371","0.0002","13.7203","0.0003","11.5632","0.0003","90","","93.178","0.001","90","","1484.43","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H40 N P -","- C38 H40 N P -","- C76 H80 N2 P2 -","2","1","","Mino, Takashi; Yamaguchi, Daiki; Masuda, Chihiro; Youda, Junpei; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Synthesis and application of P,olefin type axially chiral ligands with sec-alkyl groups.","Organic & biomolecular chemistry","2019","17","6","1455","1465","10.1039/c9ob00075e","","","1.54178","","","0.0509","0.0505","","","0.1229","0.1233","","","","","","1.161","","","","has coordinates,has disorder","301861","2025-08-22","11:12:40",""
"7156654","10.1412","0.0001","17.5089","0.0002","19.7319","0.0003","90","","90","","90","","3503.62","0.08","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 Cl3 N P -","- C42 H41 Cl3 N P -","- C168 H164 Cl12 N4 P4 -","4","1","","Mino, Takashi; Yamaguchi, Daiki; Masuda, Chihiro; Youda, Junpei; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Synthesis and application of P,olefin type axially chiral ligands with sec-alkyl groups.","Organic & biomolecular chemistry","2019","17","6","1455","1465","10.1039/c9ob00075e","","","1.54178","","","0.0392","0.0389","","","0.1006","0.1009","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156655","6.299","0.004","11.213","0.007","12.297","0.008","92.294","0.008","92.253","0.009","96.879","0.008","860.8","0.9","298","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C42 H40 O4 -","2","1","","Satpathi, Bishnupada; Dutta, Lona; Ramasastry, S. S. V.","Phosphine- and water-promoted pentannulative aldol reaction.","Organic & biomolecular chemistry","2019","17","6","1547","1551","10.1039/c8ob03106a","","","0.71073","MoKα","","0.0497","0.0391","","","0.1025","0.1119","","","","","","1.0631","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156656","16.0337","0.0016","12.9982","0.0013","14.006","0.0014","90","","99.941","0.003","90","","2875.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 B N2 O6 -","- C29 H35 B N2 O6 -","- C116 H140 B4 N8 O24 -","4","1","","Bi, Ya-Ping; Wang, He-Min; Qu, Hong-Yu; Liang, Xian-Chen; Zhou, Ying; Li, Xue-Ying; Xu, Defeng; Shen, Mei-Hua; Xu, Hua-Dong","Stereoselective synthesis of all-cis boryl tetrahydroquinolines via copper-catalyzed regioselective addition/cyclization of o-aldiminyl cinnamate with B<sub>2</sub>Pin<sub>2</sub>.","Organic & biomolecular chemistry","2019","17","6","1542","1546","10.1039/c8ob03195a","","","0.71073","MoKα","","0.0991","0.0606","","","0.168","0.1961","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156657","31.9","0.004","9.7621","0.001","15.5417","0.0016","90","","107.394","0.014","90","","4618.5","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 B F4 N2 -","- C28 H19 B F4 N2 -","- C224 H152 B8 F32 N16 -","8","1","","Talukdar, Kangkan; Roy, Subhasish; Bag, Raghunath; Punniyamurthy, Tharmalingam","Rh-Catalyzed tandem C-C/C-N bond formation of quinoxalines with alkynes leading to heterocyclic ammonium salts.","Organic & biomolecular chemistry","2019","17","8","2148","2152","10.1039/c8ob03103g","","","0.71073","MoKα","","0.2352","0.1092","","","0.2628","0.3187","","","","","","1.349","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156658","10.9656","0.0008","14.167","0.0012","14.562","0.003","112.022","0.014","102.093","0.011","104.464","0.007","1911.4","0.5","108","1","108","1","","","","","","","","6","P -1","-P 1","2","","N-(trans-2-Iodocyclohexyl)-N-(phenylsulfonyl)benzenesulfonamide","","- C18 H20 I N O4 S2 -","- C18 H20 I N O4 S2 -","- C72 H80 I4 N4 O16 S8 -","4","2","","Lei, Bowen; Miao, Qi; Ma, Lifang; Fu, Ruoqi; Hu, Fangrong; Ni, Ni; Li, Ziyuan","Efficient metal-free aminoiodination of alkenes with N-fluorobenzenesulfonimide under mild conditions.","Organic & biomolecular chemistry","2019","17","8","2126","2133","10.1039/c8ob03019g","","x-ray","0.71073","MoKα","","0.0397","0.0329","","","0.0723","0.0766","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156659","11.8316","0.0003","18.9651","0.0005","15.2168","0.0004","90","","101.139","0.001","90","","3350.14","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4.75 H3.38 Cl0.25 N0.13 O0.75 S0.13 -","- C4.75 H3.375 Cl0.25 N0.125 O0.75 S0.125 -","- C152 H108 Cl8 N4 O24 S4 -","32","8","","Deng, Zhi-Xiong; Xie, Zhen-Zhen; Zheng, Yu; Xiao, Jun-An; Wang, Rui-Jia; Xiang, Hao-Yue; Yang, Hua","Intramolecular hydrogen-bonding-assisted phosphine-catalysed [3 + 2] cyclisation of ynones with o-hydroxy/amino benzaldehydes.","Organic & biomolecular chemistry","2019","17","8","2187","2191","10.1039/c9ob00056a","","","0.71073","MoKα","","0.139","0.0999","","","0.3069","0.3436","","","","","","1.089","","","","has coordinates","225090","2020-10-21","18:00:00",""
"7156660","18.8452","0.0014","5.9542","0.0004","27.679","0.002","90","","103.868","0.002","90","","3015.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C136 H176 N16 O16 -","8","1","","Li, Bang; Mao, Qi; Zhou, Jia; Liu, Feng; Ye, Na","HFIP-promoted Michael reactions: direct para-selective C-H activation of anilines with maleimides.","Organic & biomolecular chemistry","2019","17","8","2242","2246","10.1039/c8ob03073a","","","0.71073","MoKα","","0.0632","0.0522","","","0.1608","0.1714","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156661","6.7899","0.0004","16.6281","0.0011","18.1779","0.0016","90","","90","","90","","2052.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C96 H88 O16 S4 -","4","1","","Zehra, Syeda Tazeen; Zhang, Guoxiang; Yang, Shuang; Fang, Xinqiang","Kinetic resolution of β-ketoesters with quaternary stereocenters via a carbene-catalyzed benzoin reaction.","Organic & biomolecular chemistry","2019","17","8","2169","2173","10.1039/c8ob02468e","","","0.71073","MoKα","","0.0417","0.0402","","","0.1104","0.1122","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156662","25.1245","0.0004","17.8586","0.0003","7.11686","0.0001","90","","90","","90","","3193.25","0.09","100","0.4","100","0.4","","","","","","","Marine Fungi","3","I b a 2","I 2 -2c","45","Versispiroketal A","(1'R,2R,7'S)-4,5',7'-trihydroxy-2',6,7'-trimethylspiro[benzo[d][1,3]dioxole-2,8'-bicyclo[3.2.1]octan]-2'-en-4'-one","","- C17 H20 O7 -","- C17 H20 O7 -","- C136 H160 O56 -","8","1","","Salendra, Limbadri; Luo, Xiaowei; Lin, Xiuping; Wang, Junfeng; Yang, Bin; Zhou, Xuefeng; Liu, Yonghong","Versispiroketal A, an unusual tetracyclic bridged spiroketal from the sponge-associated fungus Aspergillus versicolor SCSIO 41013.","Organic & biomolecular chemistry","2019","17","8","2182","2186","10.1039/c9ob00110g","","x-ray","1.54184","CuKα","","0.0363","0.0345","","","0.0897","0.091","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156663","7.3505","0.0004","15.9493","0.0009","13.0154","0.0008","90","","95.358","0.003","90","","1519.2","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H9 Br F N O3 -","- C19 H9 Br F N O3 -","- C76 H36 Br4 F4 N4 O12 -","4","1","","Mphahlele, Malose J.; Mmonwa, Mmakwena M.","Vilsmeier-Haack reaction of 7-acetyl-2-arylindoles: a convenient method for the synthesis of 6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-1,5-dicarbaldehydes.","Organic & biomolecular chemistry","2019","17","8","2204","2211","10.1039/c8ob03040e","","","0.56086","AgKα","","0.0599","0.0379","","","0.0739","0.081","","","","","","1.045","","","","has coordinates,has disorder","301861","2025-08-22","11:12:40",""
"7156664","36.5813","0.0018","6.2452","0.0003","13.6063","0.0007","90","","91.068","0.004","90","","3107.9","0.3","170","2","169.96","","","","","","","","","4","C 1 2 1","C 2y","5","Abinukitrine A","","","- C35 H49 N O4 -","- C35 H49 N O4 -","- C140 H196 N4 O16 -","4","1","","Li, Yong-Li; Xue, Li-Jun; Li, Jie; Chen, Li-Ming; Wu, Jian-Jun; Xu, Zhuo-Ni; Chen, Ying; Tian, Yu-Ping; Yang, Xian-Wen","Abinukitrine A, a unique 17,18-cyclolanostane triterpenoid from Abies nukiangensis.","Organic & biomolecular chemistry","2019","17","8","2107","2109","10.1039/c8ob03117g","","","1.34139","GaKα","","0.0373","0.0355","","","0.0892","0.0908","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156665","16.3438","0.0002","12.83299","0.00016","10.54089","0.00014","90","","107.083","0.0014","90","","2113.3","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O4 S -","- C25 H21 N3 O4 S -","- C100 H84 N12 O16 S4 -","4","1","","Pang, Yadong; Liang, Guoduan; Xie, Fukai; Hu, Haibin; Du, Chuan; Zhang, Xinhang; Cheng, Maosheng; Lin, Bin; Liu, Yongxiang","N-Fluorobenzenesulfonimide as a highly effective Ag(i)-catalyst attenuator for tryptamine-derived ynesulfonamide cycloisomerization.","Organic & biomolecular chemistry","2019","17","8","2247","2257","10.1039/c9ob00059c","","","1.54184","CuKα","","0.0378","0.0343","","","0.0848","0.0879","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156666","15.2261","0.0008","4.4752","0.0003","22.3479","0.0012","90","","102.846","0.006","90","","1484.67","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F4 N4 S -","- C16 H8 F4 N4 S -","- C64 H32 F16 N16 S4 -","4","1","","Miao, Jiankang; Zhang, Yahui; Sang, Xiaoyan; Hao, Wenyan","A silver(i)-catalyzed cascade bicyclization strategy for synthesis of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines.","Organic & biomolecular chemistry","2019","17","9","2336","2340","10.1039/c8ob03220c","","x-ray","0.71073","MoKα","","0.046","0.0396","","","0.0998","0.1048","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156667","14.8813","0.0008","8.3305","0.0005","18.5422","0.0012","90","","90","","90","","2298.7","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H0.12 N4 S -","- C12 H10 N4 S -","- C96 H80 N32 S8 -","8","1","","Miao, Jiankang; Zhang, Yahui; Sang, Xiaoyan; Hao, Wenyan","A silver(i)-catalyzed cascade bicyclization strategy for synthesis of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines.","Organic & biomolecular chemistry","2019","17","9","2336","2340","10.1039/c8ob03220c","","","0.71073","MoKα","","0.0932","0.0615","","","0.1565","0.1756","","","","","","1.053","","","","has coordinates","225218","2020-10-21","18:00:00",""
"7156668","8.9724","0.0003","17.884","0.0007","18.7581","0.0007","71.649","0.004","78.938","0.003","75.953","0.003","2749.6","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Cl2 N4 O12 -","- C58 H64 Cl2 N4 O12 -","- C116 H128 Cl4 N8 O24 -","2","1","","Lewis, James E. M.","Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.","Organic & biomolecular chemistry","2019","17","9","2442","2447","10.1039/c9ob00107g","","","1.54184","CuKα","","0.0751","0.0543","","","0.1458","0.1644","","","","","","1.018","","","","has coordinates,has disorder","225216","2020-10-21","18:00:00",""
"7156669","13.3255","0.0006","13.5278","0.0006","17.7443","0.0008","90.033","0.003","100.915","0.004","105.148","0.004","3027.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H78.5 N6 O20.25 -","- C58 H78 N6 O20.25 -","- C116 H156 N12 O40.5 -","2","1","","Lewis, James E. M.","Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.","Organic & biomolecular chemistry","2019","17","9","2442","2447","10.1039/c9ob00107g","","","0.71073","MoKα","","0.0729","0.0468","","","0.0975","0.1109","","","","","","1.021","","","","has coordinates,has disorder","225216","2020-10-21","18:00:00",""
"7156670","28.3764","0.0009","22.9821","0.0008","26.0316","0.001","90","","110.512","0.004","90","","15900.2","1.1","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C75 H106 Ag F3 N6 O21 S -","- C59 H66 Ag F3 N6 O17 S -","- C472 H528 Ag8 F24 N48 O136 S8 -","8","1","","Lewis, James E. M.","Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.","Organic & biomolecular chemistry","2019","17","9","2442","2447","10.1039/c9ob00107g","","","0.71073","MoKα","","0.0999","0.0751","","","0.2218","0.2435","","","","","","1.023","","","","has coordinates,has disorder","225216","2020-10-21","18:00:00",""
"7156671","11.4706","0.0001","12.9944","0.0001","17.0882","0.0001","90","","95.055","0.001","90","","2537.15","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R,3aR,9bR)-3a-(2-oxo-2-phenylethyl)-3-phenyl-3,3a,4',5'-tetrahydro-1H,2'H-spiro[chromeno[4,3-b]pyrrole-2,3'-furan]-2',4(9bH)-dione","","- C29 H25 Cl2 N O5 -","- C29 H25 Cl2 N O5 -","- C116 H100 Cl8 N4 O20 -","4","2","","Kowalczyk-Dworak, Dorota; Albrecht, Łukasz","α,β-Unsaturated butenolides in an organocatalytic doubly annulative cascade for the preparation of 3,4-dihydrocoumarins.","Organic & biomolecular chemistry","2019","17","10","2624","2628","10.1039/c9ob00068b","","x-ray","1.54184","CuKα","","0.0319","0.0317","","","0.0866","0.0867","","","","","","0.907","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156672","5.4276","0.0004","9.6873","0.0007","10.8442","0.0008","69.319","0.006","82.283","0.006","83.399","0.005","527.2","0.07","230","2","230","2","","","","","","","","5","P -1","-P 1","2","2-phenylthieno[3,2-c]pyridine-4,6,7(5H)-trione","Compound 3","","- C13 H7 N O3 S -","- C13 H7 N O3 S -","- C26 H14 N2 O6 S2 -","2","1","","Tasker, Nikhil R.; Rastelli, Ettore J.; Blanco, Isabella K.; Burnett, James C.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter","In-flow photooxygenation of aminothienopyridinones generates iminopyridinedione PTP4A3 phosphatase inhibitors.","Organic & biomolecular chemistry","2019","17","9","2448","2466","10.1039/c9ob00025a","","","1.54178","CuKα","","0.0621","0.0438","","","0.1068","0.1164","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156673","11.8058","0.0008","12.6003","0.0011","19.4463","0.0012","90","","90","","90","","2892.8","0.4","108.2","0.14","108.2","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O10 -","- C31 H38 O10 -","- C124 H152 O40 -","4","1","","He, Jun; Xu, Jie-Kun; Zhang, Jia; Bai, Hong-Jin; Ma, Bing-Zhi; Cheng, Yung-Chi; Zhang, Wei-Ku","Fischeriana A, a meroterpenoid with an unusual 6/6/5/5/5/6/6 heptacyclic carbon skeleton from the roots of Euphorbia fischeriana.","Organic & biomolecular chemistry","2019","17","10","2721","2724","10.1039/c9ob00013e","","x-ray","1.54184","CuKα","","0.0398","0.0373","","","0.0944","0.0973","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156674","9.8708","0.0004","40.1183","0.0017","9.9473","0.0005","90","","90","","90","","3939.1","0.3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H14 Cl I N2 O S -","- C22 H14 Cl I N2 O S -","- C176 H112 Cl8 I8 N16 O8 S8 -","8","1","","Saini, Kapil Mohan; Saunthwal, Rakesh K.; Kumar, Shiv; Verma, Akhilesh K.","On water: iodine-mediated direct construction of 1,3-benzothiazines from ortho-alkynylanilines by regioselective 6-exo-dig cyclization.","Organic & biomolecular chemistry","2019","17","10","2657","2662","10.1039/c9ob00128j","","","0.71073","MoKα","","0.1807","0.0766","","","0.1418","0.1766","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156675","10.7279","0.0004","9.5705","0.0003","14.6231","0.0005","90","","95.351","0.003","90","","1494.83","0.09","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 S -","- C17 H24 S -","- C68 H96 S4 -","4","1","","Urriolabeitia, Esteban P.; Ruiz, Sara","Ru(ii)-Catalysed synthesis of (1H)-isothiochromenes by oxidative coupling of benzylthioethers with internal alkynes.","Organic & biomolecular chemistry","2019","17","9","2542","2547","10.1039/c8ob03201g","","","0.71073","MoKα","","0.0858","0.0506","","","0.104","0.1243","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156676","11.677","0.004","12.61","0.004","16.02","0.005","90","","99.578","0.013","90","","2326","1.3","100","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 I N4 O -","- C25 H31 I N4 O -","- C100 H124 I4 N16 O4 -","4","1","","Jaffett, Victor A.; Nerurkar, Alok; Cao, Xufeng; Guzei, Ilia A.; Golden, Jennifer E.","Telescoped synthesis of C3-functionalized (E)-arylamidines using Ugi-Mumm and regiospecific quinazolinone rearrangements.","Organic & biomolecular chemistry","2019","17","12","3118","3128","10.1039/c9ob00073a","","x-ray","0.71073","MoKα","","0.0219","0.0191","","","0.0494","0.0506","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156677","5.7177","0.0005","7.7029","0.0006","35.315","0.003","90","","90","","90","","1555.4","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","1","","Sengoku, Tetsuya; Ikeda, Ikuhei; Ai, Keisuke; Takahashi, Masaki; Yoda, Hidemi","Indium- and zinc-catalyzed enantioselective amide propargylation of aldehydes with stannylated allenyl amides.","Organic & biomolecular chemistry","2019","17","10","2614","2618","10.1039/c9ob00040b","","","0.71075","MoKα","","0.0491","0.0461","","","0.1235","0.1286","","","","","","1.077","","","","has coordinates","225047","2020-10-21","18:00:00",""
"7156678","8.624","0.003","8.992","0.003","13.312","0.004","92.425","0.005","103.464","0.005","118.016","0.004","872.3","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C44 H34 N6 O2 -","2","1","","Hu, Fangpeng; Cui, Xinfeng; Ban, Zihui; Lu, Guoqiang; Luo, Nan; Huang, Guosheng","Synthesis of quinazolin-4(1H)-ones via amination and annulation of amidines and benzamides.","Organic & biomolecular chemistry","2019","17","9","2356","2360","10.1039/c9ob00020h","","","0.71073","MoKα","","0.0684","0.0484","","","0.1301","0.1463","","","","","","1","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156679","9.7345","0.0003","14.0642","0.0004","13.0475","0.0004","90","","91.839","0.003","90","","1785.39","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N2 O5 -","- C18 H17 Cl N2 O5 -","- C72 H68 Cl4 N8 O20 -","4","1","","Yan, Xuebin; Shao, Pei; Song, Xixi; Zhang, Chaofei; Lu, Chang; Liu, Songtao; Li, Yanli","Chemoselective syntheses of spirodihydrofuryl and spirocyclopropyl barbiturates via cascade reactions of barbiturate-based olefins and acetylacetone.","Organic & biomolecular chemistry","2019","17","10","2684","2690","10.1039/c9ob00004f","","x-ray","1.54184","CuKα","","0.0587","0.0484","","","0.1375","0.1493","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156680","10.4959","0.0012","20.229","0.002","11.8444","0.0014","90","","96.215","0.002","90","","2500","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O5 -","- C30 H32 N2 O5 -","- C120 H128 N8 O20 -","4","1","","Pesquet, Anthony; Marzag, Hamid; Knorr, Michael; Strohmann, Carsten; Lawson, Ata Martin; Ghinet, Alina; Dubois, Joëlle; Amaury, Farce; Daïch, Adam; Othman, Mohamed","Access to 3-spiroindolizines containing an isoindole ring through intra-molecular arylation of spiro-N-acyliminium species: a new family of potent farnesyltransferase inhibitors.","Organic & biomolecular chemistry","2019","17","10","2798","2808","10.1039/c8ob02612b","","","0.71073","MoKα","","0.0579","0.0511","","","0.1246","0.1291","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156681","9.6654","0.0018","5.3717","0.0012","17.065","0.003","90","","95.42","0.018","90","","882","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Br O3 -","- C19 H21 Br O3 -","- C38 H42 Br2 O6 -","2","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.1239","0.0709","","","","0.2044","","","","","","1.0588","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156682","8.2235","0.0006","15.8364","0.0013","17.2177","0.0013","90","","90","","90","","2242.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0792","0.0551","","","","0.1265","","","","","","1.0707","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156683","9.3718","0.0009","5.8521","0.0004","16.3645","0.0014","90","","106.047","0.009","90","","862.54","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl O3 -","- C19 H21 Cl O3 -","- C38 H42 Cl2 O6 -","2","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0846","0.0634","","","","0.1482","","","","","","1.0266","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156684","9.3173","0.0007","10.8597","0.0009","22.3122","0.0019","90","","90","","90","","2257.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0696","0.0484","","","","0.0972","","","","","","1.0772","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156685","5.8561","0.0005","8.9674","0.0008","10.0618","0.0009","94.232","0.007","97.739","0.007","98.721","0.007","515.12","0.08","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H23 Br O3 -","- C24 H23 Br O3 -","- C24 H23 Br O3 -","1","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","MoKα","","0.0618","0.045","","","0.0997","0.1119","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156686","8.8657","0.0009","10.5557","0.0009","18.97","0.002","90","","90","","90","","1775.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl O3 -","- C19 H21 Cl O3 -","- C76 H84 Cl4 O12 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.1129","0.0699","","","","0.2009","","","","","","0.9575","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156687","8.5827","0.0007","11.8639","0.001","12.5606","0.001","74.85","0.002","89.545","0.002","88.331","0.002","1234","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C52 H48 N16 O8 -","4","2","","Liu, Teng; Ji, Yi-Gang; Wu, Lei","tert-Butyl nitrite-mediated radical cyclization of tetrazole amines and alkynes toward tetrazolo[1,5-a]quinolines.","Organic & biomolecular chemistry","2019","17","10","2619","2623","10.1039/c9ob00169g","","","0.71073","MoKα","","0.0809","0.0523","","","0.1452","0.1645","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156688","6.5026","0.0001","13.1145","0.0002","21.4093","0.0003","90","","90","","90","","1825.75","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O8 -","- C20 H24 O8 -","- C80 H96 O32 -","4","1","","Liu, Hong-Xin; Tan, Hai-Bo; Chen, Kai; Zhao, Li-Yun; Chen, Yu-Chan; Li, Sai-Ni; Li, Hao-Hua; Zhang, Wei-Min","Cytosporins A-D, novel benzophenone derivatives from the endophytic fungus Cytospora rhizophorae A761.","Organic & biomolecular chemistry","2019","17","9","2346","2350","10.1039/c8ob03223h","","x-ray","1.54184","CuKα","","0.0283","0.0275","","","0.0724","0.0729","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156689","11.1279","0.0002","6.767","0.0001","29.5619","0.0004","90","","97.073","0.001","90","","2209.14","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N O6 S -","- C25 H27 N O5 S -","- C100 H108 N4 O20 S4 -","4","1","","Freeman, Jared L.; Brimble, Margaret A.; Furkert, Daniel P.","Convenient access to 5-membered cyclic iminium ions: evidence for a stepwise [4 + 2] cycloaddition mechanism.","Organic & biomolecular chemistry","2019","17","10","2705","2714","10.1039/c9ob00262f","","","1.54184","CuKα","","0.0361","0.0325","","","0.085","0.0874","","","","","","0.869","","","","has coordinates","225042","2020-10-21","18:00:00",""
"7156690","39.9997","0.0016","39.9997","0.0016","7.8237","0.0005","90","","90","","90","","12517.7","1.1","100","2","100","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","1,3-dimethyl-4,5-bis(2-methyl-5-(4-vinylphenyl)thiophen-3-yl)-1H-imidazol-3-ium hexafluorophosphate","","- C31.25 H29.5 Cl0.5 F6 N2 P S2 -","- C31.25 H29.5 Cl0.5 F6 N2 P S2 -","- C500 H472 Cl8 F96 N32 P16 S32 -","16","1","","Joo, Wontae; Bielawski, Christopher W.","Design, synthesis and study of a photochromic α,ω-diene: toward new classes of photoswitchable polymers.","Organic & biomolecular chemistry","2019","17","9","2486","2491","10.1039/c9ob00049f","","","1.54184","CuKα","","0.1024","0.0689","","","0.132","0.1477","","","","","","1.089","","","","has coordinates,has disorder","225220","2020-10-21","18:00:00",""
"7156691","7.613","0.003","15.188","0.005","17.464","0.006","77.323","0.005","84.333","0.004","89.849","0.005","1960.1","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O6 S -","- C20 H22 N2 O6 S -","- C80 H88 N8 O24 S4 -","4","2","","Gandi, Vasudeva Rao; Doan, Bao Nguyen Do; Kasinathan, Sivarajan; Bates, Roderick W.","Stereocontrol in the synthesis of cyclic amino acids: a new ligand for directed hydrogenation through hydrogen bonding.","Organic & biomolecular chemistry","2019","17","10","2753","2758","10.1039/c9ob00003h","","","0.71073","MoKα","","0.119","0.0954","","","0.2547","0.2687","","","","","","1.151","","","","has coordinates","301861","2025-08-22","11:12:40",""
"7156692","9.5182","0.0015","9.9604","0.0015","10.7803","0.0017","89.926","0.004","89.896","0.004","89.878","0.004","1022","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C42 H48 N4 O12 S2 -","2","1","","Gandi, Vasudeva Rao; Doan, Bao Nguyen Do; Kasinathan, Sivarajan; Bates, Roderick W.","Stereocontrol in the synthesis of cyclic amino acids: a new ligand for directed hydrogenation through hydrogen bonding.","Organic & biomolecular chemistry","2019","17","10","2753","2758","10.1039/c9ob00003h","","","0.71073","MoKα","","0.0761","0.0624","","","0.1522","0.1637","","","","","","0.947","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156693","8.9412","0.0015","11.6147","0.0019","11.727","0.002","92.06","0.005","111.91","0.005","102.119","0.005","1095.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O3 S -","- C24 H27 N O3 S -","- C48 H54 N2 O6 S2 -","2","1","","Yan, Fachao; Liang, Hanbing; Ai, Bing; Liang, Wenjing; Jiao, Luyang; Yao, Shuzhi; Zhao, Pingping; Liu, Qing; Dong, Yunhui; Liu, Hui","Palladium-catalyzed intermolecular [4 + 2] formal cycloaddition with (Z)-3-iodo allylic nucleophiles and allenamides.","Organic & biomolecular chemistry","2019","17","10","2651","2656","10.1039/c8ob03072c","","","0.71073","MoKα","","0.0904","0.0453","","","0.1017","0.12","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156694","6.5334","0.0007","16.5353","0.0019","9.6045","0.0011","90","","99.396","0.004","90","","1023.7","0.2","297","2","297.05","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10.5 H10 N O3.5 -","- C10.5 H10 N O3.5 -","- C42 H40 N4 O14 -","4","2","","Yang, Mengchen; Chen, Chen; Yi, Xing; Li, Yuan; Wu, Xiaoqin; Li, Qingshan; Ban, Shurong","Thiosquaramide-catalysed asymmetric double Michael addition of 2-(3H)-furanones to nitroolefines.","Organic & biomolecular chemistry","2019","17","11","2883","2886","10.1039/c9ob00330d","","","0.71073","MoKα","","0.0678","0.0663","","","0.1825","0.1842","","","","","","1.071","","","","has coordinates,has disorder","225287","2020-10-21","18:00:00",""
"7156695","7.021","0.009","20.14","0.03","21.54","0.03","90","","95.79","0.02","90","","3030","7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C152 H120 N24 O24 -","8","2","","Guduru, Ravinder; Mangina, N. S. V. M. Rao; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold-catalyzed formation of aryl-fused pyrazolooxazepines via intramolecular regioselective 7-exo-dig cyclization.","Organic & biomolecular chemistry","2019","17","10","2809","2817","10.1039/c8ob03157f","","","0.71073","MoKα","","0.0586","0.0453","","","0.1109","0.1183","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156696","15.43","0.003","8.5473","0.0014","20.666","0.003","90","","127.448","0.009","90","","2163.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 O2 P -","- C27 H21 O2 P -","- C108 H84 O8 P4 -","4","1","","Zhang, Ming; Jia, Xiaoyu; Zhu, Haowei; Fang, Xutong; Ji, Chenyi; Zhao, Sizhuo; Han, Li-Biao; Shen, Ruwei","Zinc-catalyzed regioselective C-P coupling of p-quinol ethers with secondary phosphine oxides to afford 2-phosphinylphenols.","Organic & biomolecular chemistry","2019","17","11","2972","2984","10.1039/c9ob00129h","","","0.71073","MoKα","","0.0962","0.0667","","","0.1966","0.2242","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156697","11.624","0.002","16.463","0.003","10.9887","0.0018","90","","105.891","0.002","90","","2022.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 O3 P -","- C20 H33 O3 P -","- C80 H132 O12 P4 -","4","1","","Zhang, Ming; Jia, Xiaoyu; Zhu, Haowei; Fang, Xutong; Ji, Chenyi; Zhao, Sizhuo; Han, Li-Biao; Shen, Ruwei","Zinc-catalyzed regioselective C-P coupling of p-quinol ethers with secondary phosphine oxides to afford 2-phosphinylphenols.","Organic & biomolecular chemistry","2019","17","11","2972","2984","10.1039/c9ob00129h","","","0.71073","MoKα","","0.0575","0.0472","","","0.1318","0.1386","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156698","16.8122","0.0006","5.9942","0.0002","21.1564","0.0007","90","","103.421","0.001","90","","2073.83","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C88 H108 N4 O24 -","4","1","","Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos","Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.","Organic & biomolecular chemistry","2019","17","12","3167","3180","10.1039/c9ob00358d","","","1.54178","CuKα","","0.0491","0.0482","","","0.126","0.127","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156699","6.873","0.0007","18.4289","0.0018","20.6056","0.0019","85.901","0.005","88.492","0.005","84.225","0.005","2589.6","0.4","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H84 O10 Si2 -","- C48 H84 O10 Si2 -","- C96 H168 O20 Si4 -","2","1","","Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos","Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.","Organic & biomolecular chemistry","2019","17","12","3167","3180","10.1039/c9ob00358d","","","1.54178","CuKα","","0.0553","0.0465","","","0.13","0.1368","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156700","20.301","0.001","8.1121","0.0004","34.9928","0.0017","90","","90","","90","","5762.7","0.5","150","2","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H43 N O6 Si2 -","- C24 H43 N O6 Si2 -","- C192 H344 N8 O48 Si16 -","8","2","","Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos","Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.","Organic & biomolecular chemistry","2019","17","12","3167","3180","10.1039/c9ob00358d","","","1.54178","CuKα","","0.0819","0.0731","","","0.1834","0.1922","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156701","12.4079","0.0007","12.825","0.0007","12.9266","0.0008","97.287","0.005","100.642","0.005","93.026","0.005","1999.2","0.2","298.84","0.1","298.84","0.1","","","","","","","","7","P 1","P 1","1","","","","- C25 H22 Br F3 N2 O5 S -","- C25 H22 Br F3 N2 O5 S -","- C75 H66 Br3 F9 N6 O15 S3 -","3","3","","Li, Boyu; Liu, Jikun; Gao, Fengyun; Sun, Mengmeng; Guo, Yifei; Zhou, Yuan; Wen, Dongwa; Deng, Yabo; Chen, Hui; Wang, Kairong; Yan, Wenjin","The asymmetric construction of CF<sub>3</sub>-containing spiro-thiazolone-pyrrolidine compounds via [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","11","2892","2895","10.1039/c9ob00325h","","x-ray","0.71073","MoKα","","0.1146","0.0553","","","0.0815","0.1032","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156702","9.1355","0.0004","13.633","0.0005","18.2466","0.0007","90","","101.056","0.004","90","","2230.33","0.16","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N2 O2 -","- C28 H25 N2 O2 -","- C112 H100 N8 O8 -","4","1","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","x-ray","0.71073","MoKα","","0.0658","0.0536","","","0.1458","0.1548","","","","","","1.086","","","","has coordinates","225301","2020-10-21","18:00:00",""
"7156703","13.785","0.003","9.6814","0.0019","17.39","0.004","90","","106.75","0.03","90","","2222.4","0.9","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O2 -","- C28 H24 N2 O2 -","- C112 H96 N8 O8 -","4","1","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","","0.71073","MoKα","","0.0929","0.0625","","","0.1468","0.1663","","","","","","0.995","","","","has coordinates","225301","2020-10-21","18:00:00",""
"7156704","10.4057","0.0005","10.8124","0.0008","13.1072","0.0008","103.696","0.006","104.327","0.005","102.121","0.005","1330.51","0.16","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O2 -","- C34 H28 N2 O2 -","- C68 H56 N4 O4 -","2","1","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","x-ray","0.71073","MoKα","","0.0689","0.0491","","","0.1154","0.1276","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156705","12.5063","0.0003","13.3807","0.0002","16.7023","0.0003","68.356","0.002","80.275","0.002","62.538","0.002","2305.2","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C112 H96 N8 O8 -","4","2","","Cheng, Cheng; Sun, Xiaobin; Wu, Zelin; Liu, Qianwei; Xiong, Liqiang; Miao, Zhiwei","Lewis base catalyzed regioselective cyclization of allene ketones or α-methyl allene ketones with unsaturated pyrazolones.","Organic & biomolecular chemistry","2019","17","12","3232","3238","10.1039/c9ob00179d","","x-ray","1.54184","CuKα","","0.0502","0.0479","","","0.1371","0.1395","","","","","","1.069","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156706","9.8542","0.0002","10.4047","0.0002","11.6372","0.0002","112.543","0.001","94.288","0.001","106.465","0.001","1033.89","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N3 O -","- C27 H19 N3 O -","- C54 H38 N6 O2 -","2","1","","Guo, Tao; Fu, Xiang-Heng; Zhang, Miao; Li, Yu-Liu; Ma, Yong-Cheng","Catalyst-free direct cross-dehydrogenative coupling of imidazoheterocycles with glyoxal hydrates: an efficient approach to 1,2-diketones.","Organic & biomolecular chemistry","2019","17","12","3150","3158","10.1039/c9ob00095j","","","1.54178","","","0.0438","0.0378","","","0.0992","0.1053","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156707","16.7865","0.0006","18.0322","0.0008","18.9289","0.0007","90","","99.888","0.001","90","","5644.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H47 B Cl2 F24 Se -","- C59 H47 B Cl2 F24 Se -","- C236 H188 B4 Cl8 F96 Se4 -","4","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","0.71073","MoKα","","0.0481","0.0326","","","0.0685","0.075","","","","","","1.043","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156708","7.9846","0.0003","15.1323","0.0005","12.2645","0.0004","90","","90","","90","","1481.86","0.09","115","2","115","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H14 Br2 Se -","- C14 H14 Br2 Se -","- C56 H56 Br8 Se4 -","4","0.5","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","0.71073","MoKα","","0.0236","0.0187","","","0.0417","0.0434","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156709","22.637","0.0013","8.9594","0.0005","18.7848","0.0011","90","","95.8","0.004","90","","3790.3","0.4","106","2","106","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Se -","- C23 H28 Se -","- C184 H224 Se8 -","8","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","1.54178","CuKα","","0.0568","0.0411","","","0.102","0.1092","","","","","","0.96","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156710","13.7859","0.0005","28.6706","0.001","14.2244","0.0005","90","","104.535","0.001","90","","5442.3","0.3","116","2","116","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H47 B F24 Se -","- C59 H47 B F24 Se -","- C236 H188 B4 F96 Se4 -","4","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","0.71073","MoKα","","0.0605","0.0418","","","0.0816","0.0878","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156711","12.6757","0.0005","13.1647","0.0005","16.7688","0.0006","84.782","0.001","73.312","0.001","82.574","0.001","2653.63","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H49 B F24 Se -","- C56 H49 B F24.003 Se -","- C112 H98 B2 F48.006 Se2 -","2","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","1.54178","CuKα","","0.0381","0.0363","","","0.0907","0.0919","","","","","","1.025","","","","has coordinates,has disorder","225298","2020-10-21","18:00:00",""
"7156712","20.0832","0.0007","17.7513","0.0006","17.4707","0.0006","90","","114.811","0.001","90","","5653.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H47 B Cl2 F24 S -","- C59 H47 B Cl2 F24 S -","- C236 H188 B4 Cl8 F96 S4 -","4","1","","Bock, Jonathan; Daniliuc, Constantin G.; Bergander, Klaus; Mück-Lichtenfeld, Christian; Hennecke, Ulrich","Synthesis, structural characterisation, and synthetic application of stable seleniranium ions.","Organic & biomolecular chemistry","2019","17","12","3181","3185","10.1039/c9ob00078j","","","1.54178","CuKα","","0.054","0.0459","","","0.1042","0.1092","","","","","","1.032","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156713","10.141","0.0014","10.4626","0.0013","19.267","0.003","90","","90","","90","","2044.3","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl N -","- C26 H22 Cl N -","- C104 H88 Cl4 N4 -","4","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.0363","0.0326","","","0.095","0.1037","","","","","","1.134","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156714","10.8507","0.0008","8.1358","0.0005","25.379","0.002","90","","93.054","0.003","90","","2237.3","0.3","300","2","300","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C28 H24 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.0706","0.0612","","","0.1641","0.1712","","","","","","1.042","","","","has coordinates","225296","2020-10-21","18:00:00",""
"7156715","10.3117","0.0011","10.8487","0.0011","13.8774","0.0012","69.647","0.005","87.597","0.005","63.669","0.005","1292.8","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O4 -","- C32 H24 N2 O4 -","- C64 H48 N4 O8 -","2","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.144","0.0595","","","0.1368","0.1618","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156716","8.2333","0.0003","9.5236","0.0004","16.9935","0.0007","75.145","0.003","76.297","0.003","83.645","0.003","1249.51","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N O2 -","- C33 H27 N O2 -","- C66 H54 N2 O4 -","2","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.1159","0.0581","","","0.1174","0.1425","","","","","","0.979","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156717","5.0331","0.0003","12.9922","0.0008","17.1983","0.0011","90","","93.403","0.002","90","","1122.63","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-5-(3,4-dimethoxybenzylidene)-2-((2-oxo-2-phenylethyl)selanyl)-3-phenyl-3,5-dihydro-4H-imidazol-4-one","","- C26 H22 N2 O4 Se -","- C26 H22 N2 O4 Se -","- C52 H44 N4 O8 Se2 -","2","1","","Haung, Jia-Yun; Barve, Indrajeet J.; Sun, Chung-Ming","One-pot synthesis of 4-arylidene imidazolin-5-ones by reaction of amino acid esters with isocyanates and α-bromoketones.","Organic & biomolecular chemistry","2019","17","11","3040","3047","10.1039/c8ob03111h","","","0.71073","MoKα","","0.0394","0.0335","","","0.0644","0.0658","","","","","","1.077","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156718","14.9997","0.0015","8.0616","0.0007","20.034","0.002","90","","107.259","0.004","90","","2313.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(3,4-dimethoxybenzyl)-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-3,5-dihydro-4H-imidazol-4-one","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C104 H96 N8 O16 S4 -","4","1","","Haung, Jia-Yun; Barve, Indrajeet J.; Sun, Chung-Ming","One-pot synthesis of 4-arylidene imidazolin-5-ones by reaction of amino acid esters with isocyanates and α-bromoketones.","Organic & biomolecular chemistry","2019","17","11","3040","3047","10.1039/c8ob03111h","","","0.71073","MoKα","","0.0986","0.076","","","0.1852","0.2052","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156719","6.8836","0.0003","7.0346","0.0003","13.579","0.0005","88.344","0.003","89.963","0.003","79.153","0.004","645.52","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 Br N S2 -","- C15 H8 Br N S2 -","- C30 H16 Br2 N2 S4 -","2","1","","Zhou, Peiqi; Huang, Yubing; Wu, Wanqing; Yu, Wentao; Li, Jianxiao; Zhu, Zhongzhi; Jiang, Huanfeng","Direct access to bis-S-heterocycles via copper-catalyzed three component tandem cyclization using S<sub>8</sub> as a sulfur source.","Organic & biomolecular chemistry","2019","17","13","3424","3432","10.1039/c9ob00377k","","x-ray","0.71073","MoKα","","0.0289","0.0268","","","0.0644","0.0657","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156720","4.2674","0.0003","12.9135","0.0008","13.473","0.0008","77.893","0.005","87.653","0.005","86.789","0.005","724.48","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 F3 N S3 -","- C16 H8 F3 N S3 -","- C32 H16 F6 N2 S6 -","2","1","","Zhou, Peiqi; Huang, Yubing; Wu, Wanqing; Yu, Wentao; Li, Jianxiao; Zhu, Zhongzhi; Jiang, Huanfeng","Direct access to bis-S-heterocycles via copper-catalyzed three component tandem cyclization using S<sub>8</sub> as a sulfur source.","Organic & biomolecular chemistry","2019","17","13","3424","3432","10.1039/c9ob00377k","","x-ray","0.71073","MoKα","","0.0402","0.035","","","0.0812","0.0855","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156721","8.9287","0.0018","19.324","0.004","9.833","0.002","90","","110.58","0.03","90","","1588.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N5 O2 -","- C16 H19 N5 O2 -","- C64 H76 N20 O8 -","4","1","","Zakharova, Elena A.; Shmatova, Olga I.; Kutovaya, Irina V.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of macrocyclic peptidomimetics via the Ugi-click-strategy.","Organic & biomolecular chemistry","2019","17","13","3433","3445","10.1039/c9ob00229d","","","0.9699","synchrotron","","0.1099","0.0825","","","0.1707","0.1881","","","","","","0.959","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156722","9.7321","0.0006","12.1142","0.0007","16.7703","0.001","85.618","0.002","85.655","0.002","70.199","0.002","1852.2","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5,10,15-tris(4'-methoxyphenyl)-5-(2''-pyrrolyl)isocorrole","","- C45 H37 Cl2 N5 O3 -","- C45 H37 Cl2 N5 O3 -","- C90 H74 Cl4 N10 O6 -","2","1","","Larsen, Simon; McCormick, Laura J.; Ghosh, Abhik","Rapid one-pot synthesis of pyrrole-appended isocorroles.","Organic & biomolecular chemistry","2019","17","12","3159","3166","10.1039/c9ob00168a","","","0.7749","synchrotron","","0.097","0.0814","","","0.1996","0.2088","","","","","","1.137","","","","has coordinates,has disorder","225297","2020-10-21","18:00:00",""
"7156723","11.1767","0.0016","11.631","0.0016","15.297","0.002","104.788","0.003","91.215","0.003","96.469","0.003","1907.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Copper(II) 5,10,15-tris(4'-methoxyphenyl)-10-(2''-pyrrolyl)isocorrole","","- C45 H34 Cl3 Cu N5 O3 -","- C44.9929 H33.9929 Cl2.9787 Cu N5 O3 -","- C89.9858 H67.9858 Cl5.9574 Cu2 N10 O6 -","2","1","","Larsen, Simon; McCormick, Laura J.; Ghosh, Abhik","Rapid one-pot synthesis of pyrrole-appended isocorroles.","Organic & biomolecular chemistry","2019","17","12","3159","3166","10.1039/c9ob00168a","","","0.7749","synchrotron","","0.0842","0.0698","","","0.1939","0.2105","","","","","","1.026","","","","has coordinates,has disorder","225297","2020-10-21","18:00:00",""
"7156724","8.4665","0.0008","9.9099","0.0008","20.0858","0.0016","94.466","0.007","93.734","0.007","95.165","0.007","1668.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N2 O6 S2 -","- C40 H30 N2 O6 S2 -","- C80 H60 N4 O12 S4 -","2","1","","Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak","Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.","Organic & biomolecular chemistry","2019","17","13","3451","3461","10.1039/c9ob00433e","","","0.71073","MoKα","","0.1371","0.0664","","","0.1426","0.1849","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156725","13.1858","0.0004","8.0088","0.0002","15.5088","0.0004","90","","107.498","0.003","90","","1561.98","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak","Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.","Organic & biomolecular chemistry","2019","17","13","3451","3461","10.1039/c9ob00433e","","","0.71073","MoKα","","0.0955","0.0576","","","0.1391","0.1623","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156726","13.2102","0.0005","11.1069","0.0003","15.6812","0.0006","90","","106.801","0.004","90","","2202.6","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.75 H22.5 F2 N O4 S2 -","- C24 H20 F N O5 S2 -","- C96 H80 F4 N4 O20 S8 -","4","1","","Arupula, Sanjeeva Kumar; Gudimella, Santosh K.; Guin, Soumitra; Mobin, Shaikh M.; Samanta, Sampak","Chemoselective cyclization of N-sulfonyl ketimines with ethenesulfonyl fluorides: access to trans-cyclopropanes and fused-dihydropyrroles.","Organic & biomolecular chemistry","2019","17","13","3451","3461","10.1039/c9ob00433e","","","0.71073","MoKα","","0.0759","0.0534","","","0.14","0.1635","","","","","","1.059","","","","has coordinates","225200","2020-10-21","18:00:00",""
"7156727","7.8813","0.0004","9.4987","0.0005","13.5549","0.0007","95.706","0.004","92.226","0.004","91.5","0.004","1008.5","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 I N O2 S Se -","- C21 H18 I N O2 S Se -","- C42 H36 I2 N2 O4 S2 Se2 -","2","1","","Zeng, Xianghua; Chen, Lu","Organo-selenium mediated regio- and stereoselective iodoselenylation of alkynes in an aqueous medium: simple access to (E)-β-iodoalkenyl selenides.","Organic & biomolecular chemistry","2019","17","13","3338","3342","10.1039/c9ob00524b","","x-ray","0.71073","MoKα","","0.0387","0.0316","","","0.0653","0.0694","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156728","9.8651","0.0004","18.4812","0.0009","11.3374","0.0006","90","","107.506","0.005","90","","1971.29","0.17","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 -","- C24 H22 N4 -","- C96 H88 N16 -","4","1","","Ren, Linning; Wang, Manman; Fang, Benyao; Yu, Wenquan; Chang, Junbiao","Iodine-mediated oxidative N-N coupling of secondary amines to hydrazines.","Organic & biomolecular chemistry","2019","17","13","3446","3450","10.1039/c9ob00279k","","x-ray","1.54184","CuKα","","0.0649","0.0487","","","0.1316","0.1474","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156729","17.424","0.003","12.1","0.002","19.028","0.003","90","","101.189","0.004","90","","3935.4","1.1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl N O -","- C24 H22 Cl N O -","- C192 H176 Cl8 N8 O8 -","8","1","","Wu, Qiong; Li, Gui-Lin; Yang, Shuang; Shi, Xiao-Qin; Huang, Tian-Zi; Du, Xi-Hua; Chen, Yan","A chemo- and regioselective C6-functionalization of 2,3-disubstituted indoles: highly efficient synthesis of diarylindol-6-ylmethanes.","Organic & biomolecular chemistry","2019","17","13","3462","3470","10.1039/c9ob00283a","","","0.71073","MoKα","","0.1218","0.0478","","","0.1126","0.145","","","","","","1","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156730","8.7751","0.0005","13.7237","0.0007","14.599","0.001","90","","101.524","0.006","90","","1722.67","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Zhou, Yuxiang; Li, Chenglong; Yuan, Xiaoyan; Zhang, Feiyan; Liu, Xiaozu; Liu, Peijun","Cobalt-catalyzed C2α-acyloxylation of 2-substituted indoles with tert-butyl peresters.","Organic & biomolecular chemistry","2019","17","13","3343","3347","10.1039/c9ob00159j","","x-ray","0.71073","MoKα","","0.0606","0.0464","","","0.0981","0.107","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156731","8.8758","0.0008","14.7297","0.0012","11.9629","0.0011","90","","101.831","0.009","90","","1530.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C80 H60 N12 O8 -","4","1","","Zhou, Yuxiang; Li, Chenglong; Yuan, Xiaoyan; Zhang, Feiyan; Liu, Xiaozu; Liu, Peijun","Cobalt-catalyzed C2α-acyloxylation of 2-substituted indoles with tert-butyl peresters.","Organic & biomolecular chemistry","2019","17","13","3343","3347","10.1039/c9ob00159j","","x-ray","0.71073","MoKα","","0.062","0.0482","","","0.1047","0.1144","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156732","8.209","0.002","9.719","0.003","12.587","0.005","111.424","0.006","104.496","0.007","96.556","0.004","881.2","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","1","1","","- C18 H6 B F5 N2 O0 S4 -","- C18 H6 B F5 N2 S4 -","- C36 H12 B2 F10 N4 S8 -","2","1","","Sun, Yijuan; Qu, Zhirong; Zhou, Zhikuan; Gai, Lizhi; Lu, Hua","Thieno[3,2-b]thiophene fused BODIPYs: synthesis, near-infrared luminescence and photosensitive properties.","Organic & biomolecular chemistry","2019","17","14","3617","3622","10.1039/c9ob00030e","","","0.71073","MoKα","","0.0804","0.0443","","","0.1154","0.1543","","","","","","1.095","","","","has coordinates","225203","2020-10-21","18:00:00",""
"7156733","5.103","0.0001","24.0246","0.0003","13.7034","0.0002","90","","98.635","0.001","90","","1660.96","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 F N2 O6 -","- C15 H19 F N2 O6 -","- C60 H76 F4 N8 O24 -","4","2","","Zhu, Liping; Xiong, Jiale; An, Junkai; Chen, Nannan; Xue, Jijun; Jiang, Xianxing","Highly efficient regio-selective ring-opening nucleophilic fluorination of aziridines and azetidines: access to β- or γ-fluorinated amino acid derivatives.","Organic & biomolecular chemistry","2019","17","15","3797","3804","10.1039/c9ob00172g","","x-ray","1.54184","CuKα","","0.0375","0.036","","","0.0933","0.0954","","","","","","1.054","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156734","13.5721","0.0006","12.8938","0.0008","7.9189","0.0004","90","","106.101","0.005","90","","1331.42","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N S -","- C14 H10 F3 N S -","- C56 H40 F12 N4 S4 -","4","1","","Qiao, Mengjun; Zhang, Jinli; Chen, Ling; Zhou, Fengyi; Zhang, Yali; Zhou, Lingfei; Wu, Yangjie","Transition metal-free α-C<sub>sp<sup>3</sup></sub>-H oxidative sulfuration of benzyl thiosulfates with anilines to form N-aryl thioamides.","Organic & biomolecular chemistry","2019","17","15","3790","3796","10.1039/c9ob00336c","","x-ray","1.54184","CuKα","","0.0764","0.061","","","0.1697","0.1865","","","","","","1.047","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156735","28.113","0.003","13.907","0.0015","20.473","0.002","90","","94.807","0.005","90","","7976.1","1.4","90","2","90","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 I3 N2 -","- C18 H19 I3 N2 -","- C288 H304 I48 N32 -","16","4","","Johnson, Lewis E.; Kingsbury, Jason S.; Elder, Delwin L.; Cattolico, Rose Ann; Latimer, Luke N.; Hardin, William; De Meulenaere, Evelien; Deodato, Chloe; Depotter, Griet; Madabushi, Sowmya; Bigelow, Nicholas W.; Smolarski, Brittany A.; Hougen, Trevor K.; Kaminsky, Werner; Clays, Koen; Robinson, Bruce H.","DANPY (dimethylaminonaphthylpyridinium): an economical and biocompatible fluorophore.","Organic & biomolecular chemistry","2019","17","15","3765","3780","10.1039/c8ob02536c","","x-ray","0.71073","MoKα","","0.1019","0.0559","","","0.1324","0.1481","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156736","20.6684","0.0013","20.6684","0.0013","24.235","0.002","90","","90","","120","","8965.8","1.1","216","2","216","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H110 N24 Ni6 O9 S12 -","- C81 H108 N24 Ni6 O9 S12 -","- C243 H324 N72 Ni18 O27 S36 -","3","0.166667","","Zhang, Meng-Juan; Li, Hong-Xi; Young, David J.; Li, Hai-Yan; Lang, Jian-Ping","Reaction condition controlled nickel(ii)-catalyzed C-C cross-coupling of alcohols.","Organic & biomolecular chemistry","2019","17","14","3567","3574","10.1039/c9ob00418a","","","0.71073","MoKα","","0.0798","0.0458","","","0.1163","0.1251","","","","","","1.001","","","","has coordinates","225202","2020-10-21","18:00:00",""
"7156737","16.3542","0.001","6.0255","0.0004","17.1246","0.0012","90","","98.854","0.002","90","","1667.39","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Cao, Bo; Wei, Yin; Shi, Min","Mitsunobu-initiated cascade cyclization of p-quinamines and 2-furanylmethanols: highly regio- and diastereoselective synthesis of functionalized hydrobenzo[c,d]indoles.","Organic & biomolecular chemistry","2019","17","15","3737","3740","10.1039/c9ob00585d","","","0.71073","MoKα","","0.053","0.0433","","","0.106","0.1143","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156738","7.1904","0.0015","17.064","0.004","8.726","0.0019","90","","100.039","0.004","90","","1054.3","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H8 Cl2 O4 -","- C10 H8 Cl2 O4 -","- C40 H32 Cl8 O16 -","4","1","","Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne","Total synthesis of spiromastilactone A.","Organic & biomolecular chemistry","2019","17","15","3819","3824","10.1039/c9ob00547a","","x-ray","0.71073","MoKα","","0.0501","0.0388","","","0.0986","0.1066","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156739","12.4339","0.0019","19.941","0.003","12.721","0.0019","90","","96.173","0.003","90","","3135.8","0.8","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H49 N O4 Si2 -","- C26 H49 N O4 Si2 -","- C104 H196 N4 O16 Si8 -","4","1","","Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne","Total synthesis of spiromastilactone A.","Organic & biomolecular chemistry","2019","17","15","3819","3824","10.1039/c9ob00547a","","x-ray","0.71073","MoKα","","0.1895","0.0786","","","0.1887","0.2425","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156740","8.84318","0.00016","8.84318","0.00016","47.459","0.0011","90","","90","","90","","3711.38","0.13","297.71","0.1","297.71","0.1","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C160 H192 O56 -","8","1","","Yang, Xing; Yuan, Po; Shui, Feng; Zhou, Yuqin; Chen, Xiaochuan","A divergent strategy to synthesize gabosines featuring a switchable two-way aldol cyclization.","Organic & biomolecular chemistry","2019","17","16","4061","4072","10.1039/c9ob00469f","","x-ray","1.54184","CuKα","","0.078","0.0745","","","0.1895","0.1909","","","","","","1.115","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156741","15.7507","0.0018","9.3997","0.0011","12.8142","0.0015","90","","93.56","0.002","90","","1893.5","0.4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C84 H72 N8 O20 -","4","1","","Jin, Li-Wen; Jiang, Fei; Chen, Ke-Wei; Du, Bai-Xiang; Mei, Guang-Jian; Shi, Feng","Phosphine-catalyzed regiospecific (3 + 2) cyclization of 3-nitroindoles with allene esters.","Organic & biomolecular chemistry","2019","17","16","3894","3901","10.1039/c9ob00432g","","","0.71073","MoKα","","0.1139","0.0715","","","0.2062","0.2455","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156742","23.3244","0.0007","9.7484","0.0003","23.6714","0.0007","90","","107.472","0.002","90","","5134","0.3","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cl N4 O2 S -","- C28 H25 Cl N4 O2 S -","- C224 H200 Cl8 N32 O16 S8 -","8","2","","Mariappan, Arumugam; Rajaguru, Kandasamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","A facile one pot synthesis of thiazolo[3,2-a]benzimidazole and pyran fused polyheterocyclic scaffolds.","Organic & biomolecular chemistry","2019","17","17","4196","4199","10.1039/c9ob00300b","","","1.54178","CuKα","","0.0746","0.0549","","","0.1081","0.1168","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156743","8.7437","0.0004","9.0981","0.0005","11.3532","0.0006","89.931","0.004","69.876","0.005","83.515","0.004","841.91","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br N O -","- C22 H16 Br N O -","- C44 H32 Br2 N2 O2 -","2","1","","Saini, Hitesh Kumar; Dhiman, Shiv; Nandwana, Nitesh Kumar; Krishnan, Rangan; Kumar, Anil","Copper and palladium-catalyzed sequential reactions: one-pot synthesis of isoindolo[2,1-b]isoquinolin-7(5H)-ones.","Organic & biomolecular chemistry","2019","17","17","4281","4290","10.1039/c9ob00440h","","x-ray","0.71073","MoKα","","0.0723","0.0469","","","0.0969","0.1055","","","","","","0.989","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156744","14.9969","0.0004","14.8584","0.0003","10.6249","0.0003","90","","110.575","0.003","90","","2216.53","0.11","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N O -","- C30 H21 N O -","- C120 H84 N4 O4 -","4","1","","Saini, Hitesh Kumar; Dhiman, Shiv; Nandwana, Nitesh Kumar; Krishnan, Rangan; Kumar, Anil","Copper and palladium-catalyzed sequential reactions: one-pot synthesis of isoindolo[2,1-b]isoquinolin-7(5H)-ones.","Organic & biomolecular chemistry","2019","17","17","4281","4290","10.1039/c9ob00440h","","x-ray","1.54184","CuKα","","0.0395","0.0379","","","0.0994","0.1006","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156745","10.6454","0.001","15.8564","0.0011","9.6081","0.001","90","","112.912","0.012","90","","1493.9","0.3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Saini, Hitesh Kumar; Dhiman, Shiv; Nandwana, Nitesh Kumar; Krishnan, Rangan; Kumar, Anil","Copper and palladium-catalyzed sequential reactions: one-pot synthesis of isoindolo[2,1-b]isoquinolin-7(5H)-ones.","Organic & biomolecular chemistry","2019","17","17","4281","4290","10.1039/c9ob00440h","","x-ray","0.71073","MoKα","","0.0885","0.0855","","","0.2156","0.2174","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156746","7.0958","0.0006","8.4262","0.0007","11.316","0.0008","87.424","0.006","82.903","0.006","75.668","0.007","650.44","0.09","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","3-{[2-(Dimethylamino)ethyl]amino}-5-hydroxy-5-(trifluoromethyl)cyclohex-2-en-1-one","","- C11 H17 F3 N2 O2 -","- C11 H17 F3 N2 O2 -","- C22 H34 F6 N4 O4 -","2","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Khudina, Olga G.; Burgart, Yanina V.; Kudyakova, Yulia S.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Sadretdinova, Lilya Sh; Evstigneeva, Natalya P.; Gerasimova, Natalya A.; Saloutin, Victor I.","Autocatalyzed three-component cyclization of polyfluoroalkyl-3-oxo esters, methyl ketones and alkyl amines: a novel approach to 3-alkylamino-5-hydroxy-5-polyfluoroalkylcyclohex-2-en-1-ones.","Organic & biomolecular chemistry","2019","17","17","4273","4280","10.1039/c9ob00293f","","","0.71073","MoKα","","0.1146","0.0646","","","0.1552","0.2089","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156747","9.1257","0.0009","21.064","0.002","8.9372","0.001","90","","117.891","0.014","90","","1518.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyrrolidinium 5-Hydroxy-2-propyl-5-(trifluoromethyl)cyclohex-1-one-3-olate","","- C14 H22 F3 N O3 -","- C14 H22 F3 N O3 -","- C56 H88 F12 N4 O12 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Khudina, Olga G.; Burgart, Yanina V.; Kudyakova, Yulia S.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Sadretdinova, Lilya Sh; Evstigneeva, Natalya P.; Gerasimova, Natalya A.; Saloutin, Victor I.","Autocatalyzed three-component cyclization of polyfluoroalkyl-3-oxo esters, methyl ketones and alkyl amines: a novel approach to 3-alkylamino-5-hydroxy-5-polyfluoroalkylcyclohex-2-en-1-ones.","Organic & biomolecular chemistry","2019","17","17","4273","4280","10.1039/c9ob00293f","","","0.71073","MoKα","","0.1277","0.0666","","","0.1804","0.2429","","","","","","1.003","","","","has coordinates,has disorder","225137","2020-10-21","18:00:00",""
"7156748","19.3581","0.0002","25.0827","0.0003","6.72","0.0001","90","","90","","90","","3262.92","0.07","118.4","0.8","118.4","0.8","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H29 Br N2 O5 -","- C35 H29 Br N2 O5 -","- C140 H116 Br4 N8 O20 -","4","1","","Wang, Yichen; Chen, Yuzhen; Li, Xiaoping; Mao, Yukang; Chen, Weiwen; Zhan, Ruoting; Huang, Huicai","Enantioselective synthesis of pyrano[2,3-c]pyrrole via an organocatalytic [4 + 2] cyclization reaction of dioxopyrrolidines and azlactones.","Organic & biomolecular chemistry","2019","17","16","3945","3950","10.1039/c9ob00419j","","x-ray","1.54184","CuKα","","0.0353","0.0304","","","0.0692","0.0758","","","","","","0.871","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156749","12.6579","0.0007","19.8384","0.0011","5.6765","0.0003","90","","90","","90","","1425.44","0.13","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C21 H16 -","- C21 H16 -","- C84 H64 -","4","1","","Mato, Mauro; Martín-Torres, Inmaculada; Herlé, Bart; Echavarren, Antonio M.","Cyclopropane-alkene metathesis by gold(i)-catalyzed decarbenation of persistent cyclopropanes.","Organic & biomolecular chemistry","2019","17","17","4216","4219","10.1039/c9ob00359b","","","0.71073","MoKα","","0.0475","0.0407","","","0.1078","0.1152","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156750","13.27","0.003","5.3525","0.0011","20.691","0.004","90","","103.956","0.004","90","","1426.3","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O2 S -","- C18 H14 O2 S -","- C72 H56 O8 S4 -","4","1","","Shu, Wen-Ming; Wang, Shuai; Zhang, Xun-Fang; He, Jian-Xin; Wu, An-Xin","A cascade oxidation/[4 + 1] annulation of sulfonium salts for synthesis of polyfunctional furans: DMSO as one carbon source.","Organic & biomolecular chemistry","2019","17","17","4311","4316","10.1039/c9ob00443b","","","0.71073","MoKα","","0.0854","0.0502","","","0.1332","0.1574","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156751","11.0875","0.0014","11.2228","0.0012","25.651","0.003","90","","98.141","0.004","90","","3159.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 N O5 -","- C41 H29 N O5 -","- C164 H116 N4 O20 -","4","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.135","0.0646","","","0.1513","0.1802","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156752","8.851","0.003","9.689","0.004","19.549","0.007","95.91","0.012","96.198","0.01","100.149","0.011","1627.8","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H30 Cl N O6 -","- C39 H30 Cl N O6 -","- C78 H60 Cl2 N2 O12 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.0686","0.0461","","","0.1121","0.1233","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156753","9.861","0.008","10.277","0.008","21.278","0.015","76.246","0.02","86.55","0.02","85.28","0.02","2086","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Cl3 N O6 -","- C42 H26 Cl3 N O6 -","- C84 H52 Cl6 N2 O12 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.3149","0.1476","","","0.3565","0.4562","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156754","10.252","0.003","11.75","0.003","15.681","0.004","99.354","0.008","103.382","0.008","103.029","0.008","1743.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 F N O5 -","- C42 H30 F N O5 -","- C84 H60 F2 N2 O10 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.1367","0.0704","","","0.1748","0.2112","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156755","8.936","0.001","11.8146","0.0014","14.0852","0.0015","88.678","0.004","73.876","0.003","86.577","0.004","1426","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27 N5 O3 -","- C34 H27 N5 O3 -","- C68 H54 N10 O6 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.0808","0.05","","","0.1153","0.1307","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156756","9.6947","0.0008","10.8845","0.0008","18.8025","0.0014","80.319","0.002","80.832","0.002","72.455","0.003","1852.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H31 N O6 -","- C43 H31 N O6 -","- C86 H62 N2 O12 -","2","1","","Sun, Jing; Zhang, Yu; Shi, Rong-Guo; Yan, Chao-Guo","Selective synthesis of spirooxindoles via a two-step reaction of N-phenacylpyridinium bromide, 1,3-indanedione and N-alkylisations.","Organic & biomolecular chemistry","2019","17","16","3978","3983","10.1039/c9ob00166b","","","0.71073","MoKα","","0.1256","0.0719","","","0.1883","0.2058","","","","","","1.106","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156757","6.2201","0.0007","12.705","0.0014","35.317","0.004","90","","90","","90","","2791","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl N3 O3 -","- C34 H28 Cl N3 O3 -","- C136 H112 Cl4 N12 O12 -","4","1","","Hutskalova, Valeriia; Mykhailiuk, Pavel K.","Pd-Catalyzed directed CH-(hetero)arylation of cyclic α-amino acids: effects of substituents and the ring size.","Organic & biomolecular chemistry","2019","17","17","4342","4349","10.1039/c9ob00393b","","","0.71073","MoKα","","0.1045","0.0512","","","0.08","0.0956","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156758","6.871","0.003","10.77","0.005","21.856","0.011","94.578","0.01","94.404","0.01","102.422","0.013","1567.1","1.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cl N3 O9 -","- C33 H38 Cl N3 O9 -","- C66 H76 Cl2 N6 O18 -","2","1","","Hutskalova, Valeriia; Mykhailiuk, Pavel K.","Pd-Catalyzed directed CH-(hetero)arylation of cyclic α-amino acids: effects of substituents and the ring size.","Organic & biomolecular chemistry","2019","17","17","4342","4349","10.1039/c9ob00393b","","","0.71073","MoKα","","0.1566","0.0773","","","0.1769","0.2077","","","","","","1.02","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156759","10.868","0.01","15.852","0.015","21.43","0.02","74.499","0.01","79.884","0.01","87.811","0.01","3502","6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H56 B Cu2 F4 N8 O4 -","- C68 H56 B Cu2 F4 N8 O4 -","- C136 H112 B2 Cu4 F8 N16 O8 -","2","1","","Harada, Kentaro; Sekiya, Ryo; Maehara, Takeshi; Haino, Takeharu","Substituent-controlled racemization of dissymmetric coordination capsules.","Organic & biomolecular chemistry","2019","17","19","4729","4735","10.1039/c9ob00388f","","","0.71073","MoKα","","0.2041","0.1819","","","0.4678","0.4807","","","","","","1.873","","","","has coordinates","225156","2020-10-21","18:00:00",""
"7156760","7.92142","0.00004","7.19257","0.00004","11.36141","0.00005","90","","97.7125","0.0004","90","","641.465","0.006","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","2-((6aS,7S,10aR)-2-methoxy-6-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-7-yl)acetaldehyde","","- C16 H16 O4 -","- C16 H16 O4 -","- C32 H32 O8 -","2","1","","Albrecht, Anna; Bojanowski, Jan; Kot, Adrianna; Sieroń, Lesław","Decarboxylative, trienamine mediated cycloaddition for the synthesis of 3,4-dihydrocoumarin derivatives.","Organic & biomolecular chemistry","2019","17","17","4238","4242","10.1039/c9ob00386j","","x-ray","1.54184","CuKα","","0.0238","0.0237","","","0.0626","0.0626","","","","","","1.006","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156761","8.5399","0.0001","7.2817","0.0001","10.6201","0.0001","90","","105.546","0.001","90","","636.25","0.013","100","","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","2-((6aR,7R,10aS)-2-Methyl-6-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-7-yl)acetaldehyde","","- C16 H16 O3 -","- C16 H16 O3 -","- C32 H32 O6 -","2","1","","Albrecht, Anna; Bojanowski, Jan; Kot, Adrianna; Sieroń, Lesław","Decarboxylative, trienamine mediated cycloaddition for the synthesis of 3,4-dihydrocoumarin derivatives.","Organic & biomolecular chemistry","2019","17","17","4238","4242","10.1039/c9ob00386j","","x-ray","1.54184","CuKα","","0.0218","0.0217","","","0.0556","0.0556","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156762","7.2227","0.0009","8.8688","0.0011","9.7985","0.0013","72.745","0.002","86.41","0.003","77","0.002","584.04","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl O2 S2 -","- C12 H9 Cl O2 S2 -","- C24 H18 Cl2 O4 S4 -","2","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0539","0.0422","","","0.1267","0.1387","","","","","","0.948","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156763","7.4647","0.0005","10.1476","0.0006","14.7974","0.0009","90","","97.68","0.001","90","","1110.83","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C48 H40 O8 S8 -","4","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0293","0.0266","","","0.0742","0.0764","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156764","7.5548","0.0005","8.985","0.0006","11.3559","0.0007","75.451","0.001","79.463","0.001","65.962","0.001","678.58","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 O2 S2 -","- C15 H14 O2 S2 -","- C30 H28 O4 S4 -","2","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0408","0.0371","","","0.1001","0.1037","","","","","","1.042","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156765","16.7044","0.0015","4.7039","0.0004","18.5969","0.0017","90","","90","","90","","1461.3","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C76 H56 N8 O12 -","4","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0444","0.0391","","","0.0962","0.1007","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156766","7.522","0.002","9.502","0.003","26.913","0.008","86.186","0.005","89.331","0.005","69.408","0.005","1796.6","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N2 O3.5 -","- C23 H19 N2 O3.5 -","- C92 H76 N8 O14 -","4","2","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.1079","0.1027","","","0.2634","0.2668","","","","","","1.615","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156767","8.7979","0.0018","24.844","0.005","9.454","0.0019","90","","111.09","0.03","90","","1928","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 S2 -","- C21 H22 N2 O2 S2 -","- C84 H88 N8 O8 S8 -","4","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0483","0.0392","","","0.0977","0.1041","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156768","16.1338","0.0003","8.5259","0.0001","14.364","0.0002","90","","114.544","0.0008","90","","1797.31","0.05","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 O3 S -","- C11 H8 O3 S -","- C88 H64 O24 S8 -","8","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.","Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.","Organic & biomolecular chemistry","2019","17","20","4990","5000","10.1039/c9ob00690g","","","0.71073","MoKα","","0.0358","0.0312","","","0.0887","0.0924","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156769","7.21212","0.00009","15.4816","0.0002","26.0416","0.0003","90","","90","","90","","2907.68","0.06","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","2","","Ghosh, Arnab; Hegde, Rajeev; Makane, Vitthal B.; Sridhar, Balasubramanian; Rode, Haridas B.; Patil, Siddappa A.; Dateer, Ramesh B.","Transition metal-free functionalized hydration of alkynes: one-pot synthesis of fluorinated β-keto-imidates using Selectfluor.","Organic & biomolecular chemistry","2019","17","18","4440","4445","10.1039/c9ob00527g","","","0.71073","MoKα","","0.1954","0.0757","","","0.1242","0.1564","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156770","8.6622","0.0001","10.7712","0.0002","11.176","0.0002","102.418","0.0005","97.3598","0.0005","113.427","0.0004","907.48","0.03","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 F N O4 -","- C23 H18 F N O4 -","- C46 H36 F2 N2 O8 -","2","1","","Shinde, Sundar S.; Laha, Soumi; Tiwari, Dharmendra K.; Sridhar, B.; Likhar, Pravin R.","A multi-component reaction for the synthesis of pyrido [1,2-b] isoquinoline derivatives via the [3 + 2] cycloaddition reaction between alkynes and in situ generated isoquinolinium ylides.","Organic & biomolecular chemistry","2019","17","16","4121","4128","10.1039/c9ob00560a","","","0.71073","MoKα","","0.053","0.0457","","","0.1261","0.1321","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156771","25.282","0.002","3.7619","0.0002","35.085","0.003","90","","92.481","0.007","90","","3333.7","0.4","293","","293","","","","","","","","synthesized","4","I 1 2/a 1","-I 2ya","15","","","","- C15 H11 F2 N5 -","- C15 H11 F2 N5 -","- C120 H88 F16 N40 -","8","1","","Kathuria, Deepika; Gupta, Pankaj; Chourasiya, Sumit S.; Sahoo, Subash C.; Beifuss, Uwe; Chakraborti, Asit K.; Bharatam, Prasad V.","An unprecedented intramolecular to intermolecular mechanistic switch in 1,1-diaminoazines leading to differential product formation during the I<sub>2</sub>-induced tandem oxidative transformation.","Organic & biomolecular chemistry","2019","17","16","4129","4138","10.1039/c9ob00610a","","x-ray","0.71073","MoKα","","0.2008","0.07","","","0.1632","0.2208","","","","","","0.9196","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156772","10.6086","0.0014","11.1096","0.0013","15.126","0.002","104.594","0.003","106.964","0.004","93.19","0.003","1634","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H37 N3 O9 -","- C37 H37 N3 O9 -","- C74 H74 N6 O18 -","2","1","","Arrata, Irene; Grison, Claire M.; Coubrough, Heather M.; Prabhakaran, Panchami; Little, Marc A.; Tomlinson, Darren C.; Webb, Michael E.; Wilson, Andrew J.","Control of conformation in α-helix mimicking aromatic oligoamide foldamers through interactions between adjacent side-chains.","Organic & biomolecular chemistry","2019","17","15","3861","3867","10.1039/c9ob00123a","","","0.71073","MoKα","","0.0735","0.0419","","","0.0872","0.0989","","","","","","1.007","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156773","11.156","0.005","11.456","0.005","13.201","0.006","100.51","0.02","108.58","0.02","100.45","0.02","1519.6","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 Cl2 N2 O4 -","- C35 H28 Cl2 N2 O4 -","- C70 H56 Cl4 N4 O8 -","2","1","","Tehri, Piyush; Peddinti, Rama Krishna","DBU-catalyzed [3 + 2] cycloaddition and Michael addition reactions of 3-benzylidene succinimides with 3-ylidene oxindoles and chalcones.","Organic & biomolecular chemistry","2019","17","16","3964","3970","10.1039/c9ob00385a","","","0.71073","MoKα","","0.1441","0.1081","","","0.3387","0.3861","","","","","","1.474","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156774","10.6788","0.0006","11.5046","0.0003","12.2981","0.0003","114.417","0.001","103.953","0.002","96.855","0.002","1293.5","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cl N O3 -","- C32 H24 Cl N O3 -","- C64 H48 Cl2 N2 O6 -","2","1","","Tehri, Piyush; Peddinti, Rama Krishna","DBU-catalyzed [3 + 2] cycloaddition and Michael addition reactions of 3-benzylidene succinimides with 3-ylidene oxindoles and chalcones.","Organic & biomolecular chemistry","2019","17","16","3964","3970","10.1039/c9ob00385a","","","0.71073","MoKα","","0.074","0.048","","","0.1407","0.1803","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156775","8.5355","0.0003","9.9613","0.0003","17.9321","0.0005","90","","100.199","0.002","90","","1500.58","0.08","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Yan, Li-Qin; Cai, Xiaoting; He, Xinwei; Wang, Hui; Xie, Mengqing; Zuo, Youpeng; Shang, Yongjia","Synthesis of 4-styrylcoumarins via FeCl<sub>3</sub>-promoted cascade reactions of propargylamines with β-keto esters.","Organic & biomolecular chemistry","2019","17","16","4005","4013","10.1039/c9ob00323a","","","0.71073","MoKα","","0.0743","0.0544","","","0.1402","0.1582","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156776","23.736","0.004","5.9771","0.0006","21.99","0.003","90","","90","","90","","3119.8","0.7","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 N O -","- C15 H9 N O -","- C180 H108 N12 O12 -","12","3","","Patil, Manoj D.; Liu, Rai-Shung","Direct access to benzofuro[2,3-b]quinoline and 6H-chromeno[3,4-b]quinoline cores through gold-catalyzed annulation of anthranils with arenoxyethynes and aryl propargyl ethers.","Organic & biomolecular chemistry","2019","17","18","4452","4455","10.1039/c9ob00468h","","","0.71073","MoKα","","0.2074","0.082","","","0.1809","0.2602","","","","","","1.013","","","","has coordinates,has disorder","225246","2020-10-21","18:00:00",""
"7156777","8.1844","0.0009","24.475","0.003","8.6835","0.0009","90","","106.736","0.006","90","","1665.7","0.3","294","2","294.21","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4.21 H3.79 F0.63 N0.21 O0.21 -","- C4.21053 H3.78947 F0.631579 N0.210526 O0.210526 -","- C80 H72 F12 N4 O4 -","19","4.75","","Guo, Jia; Xu, Cong; Wang, Ling; Huang, Wanqiao; Wang, Mang","Catalyst-free and selective trifluoromethylative cyclization of acryloanilides using PhICF<sub>3</sub>Cl.","Organic & biomolecular chemistry","2019","17","18","4593","4599","10.1039/c9ob00601j","","","1.54178","CuKα","","0.0664","0.052","","","0.1199","0.128","","","","","","1.05","","","","has coordinates","225243","2020-10-21","18:00:00",""
"7156778","12.285","0.0004","28.8977","0.0011","25.3483","0.0009","90","","103.049","0.001","90","","8766.5","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C95 H95.5 N6.5 O16 -","- C95 H95.5 N6.5 O16 -","- C380 H382 N26 O64 -","4","2","","Wang, Guo; Qiang, Hui; Guo, Yun-Zhe; Yang, Jie; Wen, Ke; Hu, Wei-Bo","Systematic rim cyano-functionalization of pillar[5]arene and corresponding host-guest property varieties.","Organic & biomolecular chemistry","2019","17","18","4600","4604","10.1039/c9ob00396g","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","296837","2024-12-11","09:56:46",""
"7156779","13.9003","0.0017","13.9234","0.0016","13.9234","0.0016","78.58","","63.598","0.002","63.598","0.002","2161.9","0.4","150","2","149.99","","","","","","","","","3","P -1","-P 1","2","","","","- C51 H29 N13 -","- C51 H29 N13 -","- C102 H58 N26 -","2","1","","Wang, Guo; Qiang, Hui; Guo, Yun-Zhe; Yang, Jie; Wen, Ke; Hu, Wei-Bo","Systematic rim cyano-functionalization of pillar[5]arene and corresponding host-guest property varieties.","Organic & biomolecular chemistry","2019","17","18","4600","4604","10.1039/c9ob00396g","","","0.71073","MoKα","","0.1494","0.0655","","","0.148","0.1715","","","","","","0.901","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156780","11.8381","0.0005","12.1136","0.0005","16.2757","0.0008","91.438","0.003","99.204","0.002","99.741","0.002","2267.44","0.18","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H35 Cl5 N6 O4 -","- C47 H35 Cl5 N6 O4 -","- C94 H70 Cl10 N12 O8 -","2","1","","Wang, Guo; Qiang, Hui; Guo, Yun-Zhe; Yang, Jie; Wen, Ke; Hu, Wei-Bo","Systematic rim cyano-functionalization of pillar[5]arene and corresponding host-guest property varieties.","Organic & biomolecular chemistry","2019","17","18","4600","4604","10.1039/c9ob00396g","","","0.71073","MoKα","","0.1953","0.1147","","","0.3011","0.36","","","","","","1.191","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156781","7.316","0.0002","19.1755","0.0005","12.7269","0.0005","90","","103.311","0.004","90","","1737.46","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O2 S -","- C20 H17 N3 O2 S -","- C80 H68 N12 O8 S4 -","4","1","","Zhao, Xue-Mei; Huang, En-Ling; Zhu, Yu-Shen; Li, Jing; Song, Bing; Zhu, Xinju; Hao, Xin-Qi","Oxidative sulfonamidomethylation of imidazopyridines utilizing methanol as the main C1 source.","Organic & biomolecular chemistry","2019","17","19","4869","4878","10.1039/c9ob00596j","","x-ray","1.54184","CuKα","","0.0971","0.0913","","","0.1988","0.2019","","","","","","1.015","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156782","9.405","0.007","9.471","0.007","9.815","0.007","84.218","0.008","63.798","0.007","78.437","0.008","768.4","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C36 H30 N6 O2 -","2","1","","Chen, Jinpeng; Liang, Taoyuan; Zhao, He; Lin, Chuyuan; Chen, Lu; Zhang, Min","Silver-mediated three-component cycloaddition reaction for direct synthesis of 1-N-vinyl-substituted 1,2,3-triazoles.","Organic & biomolecular chemistry","2019","17","19","4843","4849","10.1039/c9ob00686a","","","0.71073","MoKα","","0.043","0.0395","","","0.1204","0.125","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156783","9.1145","0.0005","18.1803","0.0017","18.6882","0.0017","115.886","0.009","99.779","0.006","99.493","0.006","2643.8","0.5","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C120 H204 O12 -","6","3","","Chen, Song; Chen, Ting; Liu, Guanggen; Wang, Xiao; Zhu, Guili; Liu, Yongjiang; Fu, Shaomin; Liu, Bo","Total synthesis of (±)-epi-stemodan-13α,17-diol.","Organic & biomolecular chemistry","2019","17","19","4711","4714","10.1039/c9ob00661c","","x-ray","0.71073","MoKα","","0.1951","0.1359","","","0.3946","0.4337","","","","","","1.284","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156784","42.209","0.004","10.8705","0.0009","32.818","0.003","90","","124.056","0.003","90","","12475","2","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 N O3 -","- C40.605 H30.42 N2 O2.605 -","- C649.68 H486.72 N32 O41.68 -","16","2","","Purnachandar, Dalovai; Suneel, Kanaparthy; Balasubramanian, Sridhar; Karunakar, Galla V.","Gold-carbene assisted formation of tetraarylmethane derivatives: double X-H activation by gold.","Organic & biomolecular chemistry","2019","17","19","4856","4864","10.1039/c9ob00470j","","","0.71073","MoKα","","0.1098","0.0615","","","0.1504","0.1735","","","","","","1.027","","","","has coordinates","225155","2020-10-21","18:00:00",""
"7156785","8.217","0.0003","23.5453","0.0007","8.6771","0.0003","90","","96.908","0.004","90","","1666.59","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0554","0.047","","","0.1356","0.1463","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156786","8.1912","0.0004","25.2962","0.0016","8.6202","0.0003","90","","94.497","0.004","90","","1780.66","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0736","0.0492","","","0.1321","0.1558","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156787","12.2348","0.0012","6.8428","0.0007","23.447","0.002","90","","100.176","0.009","90","","1932.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.1232","0.0783","","","0.218","0.2779","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156788","12.6928","0.0004","7.034","0.0003","21.7643","0.0008","90","","90","","90","","1943.14","0.13","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H17 Cl O2 -","- C24 H17 Cl O2 -","- C96 H68 Cl4 O8 -","4","0.5","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0932","0.0728","","","0.2076","0.2326","","","","","","1.054","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156789","9.415","0.0006","10.3881","0.0007","11.1903","0.0007","78.293","0.006","85.937","0.005","65.446","0.006","974.66","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C54 H36 O4 -","2","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0927","0.0531","","","0.139","0.1704","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156790","10.4181","0.0005","9.807","0.0005","18.121","0.0007","90","","101.548","0.004","90","","1813.95","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F O2 -","- C24 H17 F O2 -","- C96 H68 F4 O8 -","4","1","","Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie","An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.","Organic & biomolecular chemistry","2019","17","18","4621","4628","10.1039/c9ob00421a","","x-ray","1.54184","CuKα","","0.0838","0.0586","","","0.1615","0.1846","","","","","","1.023","","","","has coordinates","225244","2020-10-21","18:00:00",""
"7156791","8.4865","0.0004","8.5936","0.0004","13.0039","0.0006","71.285","0.002","82.909","0.002","65.007","0.002","814.03","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C36 H36 O10 S2 -","2","1","","Chinta, Bhavani Shankar; Gandhi, Soniya; Baire, Beeraiah","Acid catalysed rearrangement of isobenzofurans to angularly fused phthalides.","Organic & biomolecular chemistry","2019","17","19","4715","4719","10.1039/c9ob00708c","","","0.71073","MoKα","","0.0548","0.0441","","","0.1038","0.1158","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156792","11.9791","0.0002","13.0772","0.0002","22.8452","0.0004","90","","105.324","0.0007","90","","3451.54","0.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N3 O5 S -","- C14.4 H19.2 N1.6 O1.6 S0.8 -","- C144 H192 N16 O16 S8 -","10","2.5","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","0.0912","0.0714","","","0.169","0.1839","","","","","","1.043","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156793","9.96514","0.00018","12.7027","0.0003","13.1411","0.0003","60.2937","0.0008","81.682","0.0009","81.684","0.0008","1424.48","0.05","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 F N3 O5 S -","- C14 H14.5 F0.5 N O2.5 S -","- C56 H58 F2 N4 O10 S4 -","4","2","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","","0.1185","","","","0.392","","","","","","1.535","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156794","6.0572","0.0003","12.5122","0.0005","24.3995","0.0009","90","","93.382","0.003","90","","1845.99","0.14","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N3 O5 S -","- C12.6667 H17.3333 N1.33333 O1.33333 S0.666667 -","- C76 H104 N8 O8 S4 -","6","1.5","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","0.0944","0.0731","","","0.166","0.1856","","","","","","1.097","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156795","12.202","0.0002","9.01705","0.00016","16.4287","0.0003","90","","103.693","0.001","90","","1756.21","0.05","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N3 O5 S -","- C13.3333 H14 N0.666667 O2 S0.666667 -","- C80 H84 N4 O12 S4 -","6","1.5","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","0.0465","0.0403","","","0.0999","0.1029","","","","","","1.049","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156796","6.13461","0.00018","13.8919","0.0005","10.4572","0.0004","90","","91.4472","0.0018","90","","890.89","0.05","296","","296","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H25 N2 O2 S -","- C18 H24 N2 O2 S -","- C36 H48 N4 O4 S2 -","2","1","","Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi","Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.","Organic & biomolecular chemistry","2019","17","19","4783","4788","10.1039/c9ob00637k","","","1.54187","CuKα","","","0.0446","","","","0.1357","","","","","","1.213","","","","has coordinates","225154","2020-10-21","18:00:00",""
"7156797","10.9913","0.0008","20.6489","0.0012","12.3839","0.0008","90","","99.075","0.006","90","","2775.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O9 S -","- C28 H26 N2 O9 S -","- C112 H104 N8 O36 S4 -","4","1","","Yi, Xiaofei; Chen, Kai; Chen, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Synthesis of cyclic gem-dinitro compounds via radical nitration of 1,6-diynes with Fe(NO<sub>3</sub>)<sub>3</sub>·9H<sub>2</sub>O.","Organic & biomolecular chemistry","2019","17","19","4725","4728","10.1039/c9ob00431a","","","0.71073","MoKα","","0.1144","0.0663","","","0.1751","0.2127","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156798","16.5068","0.0007","12.2903","0.0006","29.5223","0.001","90","","90","","90","","5989.3","0.4","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H25 N3 O7 S -","- C33 H25 N3 O7 S -","- C264 H200 N24 O56 S8 -","8","1","","Yi, Xiaofei; Chen, Kai; Chen, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Synthesis of cyclic gem-dinitro compounds via radical nitration of 1,6-diynes with Fe(NO<sub>3</sub>)<sub>3</sub>·9H<sub>2</sub>O.","Organic & biomolecular chemistry","2019","17","19","4725","4728","10.1039/c9ob00431a","","","0.71073","MoKα","","0.0542","0.0382","","","0.0874","0.0973","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156799","16.1433","0.0007","9.795","0.0004","16.3549","0.0007","90","","114.957","0.002","90","","2344.62","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O9 S -","- C21 H20 N4 O9 S -","- C84 H80 N16 O36 S4 -","4","1","","Yi, Xiaofei; Chen, Kai; Chen, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Synthesis of cyclic gem-dinitro compounds via radical nitration of 1,6-diynes with Fe(NO<sub>3</sub>)<sub>3</sub>·9H<sub>2</sub>O.","Organic & biomolecular chemistry","2019","17","19","4725","4728","10.1039/c9ob00431a","","","0.71073","MoKα","","0.1113","0.0805","","","0.2259","0.2554","","","","","","1.101","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156800","20.4023","0.0013","16.0765","0.0013","11.2547","0.0007","90","","90","","90","","3691.5","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H14 N2 O0.07 -","- C13.1429 H9.71429 N1.71429 O0.571429 -","- C184 H136 N24 O8 -","14","3.5","","Bakthadoss, Manickam; Raman, Selvakumar; Mushaf, Mohammad","A rearrangement involving a solid-state melt reaction for the synthesis of multifunctional tetrasubstituted olefins.","Organic & biomolecular chemistry","2019","17","19","4767","4773","10.1039/c9ob00639g","","x-ray","0.71073","MoKα","","0.0945","0.0495","","","0.0987","0.1219","","","","","","1.025","","","","has coordinates","225153","2020-10-21","18:00:00",""
"7156801","12.0587","0.0008","15.518","0.0013","12.0126","0.0008","90","","117.134","0.002","90","","2000.5","0.3","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S2 -","- C23 H23 N O2 S2 -","- C92 H92 N4 O8 S8 -","4","1","","Liu, Caiyan; Shen, Yongli; Yuan, Kedong","Non-directed copper-catalyzed regioselective C-H sulfonylation of phenothiazines.","Organic & biomolecular chemistry","2019","17","20","5009","5013","10.1039/c9ob00705a","","x-ray","0.71073","MoKα","","0.0907","0.0579","","","0.1575","0.1804","","","","","","1.035","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156802","12.5619","0.0002","19.642","0.0004","9.1574","0.0002","90","","100.832","0.002","90","","2219.25","0.08","299.83","0.1","299.83","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl0 N O S0.1 -","- C10 H8.8 N0.8 O0.8 S0.8 -","- C100 H88 N8 O8 S8 -","10","2.5","","Liu, Caiyan; Shen, Yongli; Yuan, Kedong","Non-directed copper-catalyzed regioselective C-H sulfonylation of phenothiazines.","Organic & biomolecular chemistry","2019","17","20","5009","5013","10.1039/c9ob00705a","","x-ray","1.54184","CuKα","","0.0599","0.0536","","","0.1551","0.1608","","","","","","1.082","","","","has coordinates","225186","2020-10-21","18:00:00",""
"7156803","7.6372","0.0006","7.6372","0.0006","23.721","0.002","90","","90","","120","","1198.21","0.17","293","2","293","2","","","","","","","","4","P 31","P 31","144","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C57 H48 N6 O9 -","3","1","","Wang, Xiaolong; Feng, Cancan; Yang, Fan; Wu, Yangjie","Pd(ii)-Catalyzed C8-H alkoxycarbonylmethylation of 1-naphthylamides with α-chloroalkyl esters.","Organic & biomolecular chemistry","2019","17","19","4865","4868","10.1039/c9ob00648f","","","1.54184","CuKα","","0.0477","0.0411","","","0.104","0.1119","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156804","21.701","0.006","8.299","0.003","23.48","0.007","90","","115.537","0.004","90","","3816","2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 N2 O10 -","- C43 H46 N2 O10 -","- C172 H184 N8 O40 -","4","1","","Li, Kun-Ang; Wang, Zhuo; Xie, Chang-Dong; Chen, Tao; Qiang, Hui; Liu, Yahu A.; Jia, Xue-Shun; Hu, Wei-Bo; Wen, Ke","Unidirectional complexation of pillar[4]arene[1]benzoquinoneoxime with alkyl alcohols.","Organic & biomolecular chemistry","2019","17","20","4975","4978","10.1039/c9ob00665f","","","0.71073","MoKα","","0.1786","0.0831","","","0.2074","0.2594","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156805","12.1968","0.0002","31.9446","0.0004","12.4129","0.0002","90","","119.137","0.002","90","","4224.34","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H54 N O11 -","- C47 H54 N O11 -","- C188 H216 N4 O44 -","4","1","","Li, Kun-Ang; Wang, Zhuo; Xie, Chang-Dong; Chen, Tao; Qiang, Hui; Liu, Yahu A.; Jia, Xue-Shun; Hu, Wei-Bo; Wen, Ke","Unidirectional complexation of pillar[4]arene[1]benzoquinoneoxime with alkyl alcohols.","Organic & biomolecular chemistry","2019","17","20","4975","4978","10.1039/c9ob00665f","","x-ray","1.54184","CuKα","","0.0714","0.0633","","","0.14","0.1441","","","","","","1.106","","","","has coordinates","225184","2020-10-21","18:00:00",""
"7156806","42.729","0.008","12.651","0.002","16.865","0.003","90","","95.628","0.008","90","","9073","3","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 N O12 -","- C47 H53 N O12 -","- C376 H424 N8 O96 -","8","1","","Li, Kun-Ang; Wang, Zhuo; Xie, Chang-Dong; Chen, Tao; Qiang, Hui; Liu, Yahu A.; Jia, Xue-Shun; Hu, Wei-Bo; Wen, Ke","Unidirectional complexation of pillar[4]arene[1]benzoquinoneoxime with alkyl alcohols.","Organic & biomolecular chemistry","2019","17","20","4975","4978","10.1039/c9ob00665f","","","0.71073","MoKα","","0.2285","0.131","","","0.3081","0.3451","","","","","","1.29","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156807","14.761","0.003","9.9736","0.0008","15.8257","0.0019","90","","90","","90","","2329.9","0.6","292.86","0.1","292.86","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","","Zhan, Zhenzhen; Ma, Haojie; Cui, Xinfeng; Jiang, Pengbo; Pu, Jinghong; Zhang, Yixin; Huang, Guosheng","Selective synthesis of (1H-benzo[d]imidazol-2-yl)(phenyl)methanone and quinoxaline from aromatic aldehyde and o-phenylenediamine.","Organic & biomolecular chemistry","2019","17","20","5148","5152","10.1039/c9ob00531e","","","0.71073","MoKα","","0.1334","0.068","","","0.1372","0.1848","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156808","14.4474","0.0019","9.1512","0.001","9.2001","0.0012","90","","103.529","0.013","90","","1182.6","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl F3 N O -","- C11 H11 Cl F3 N O -","- C44 H44 Cl4 F12 N4 O4 -","4","1","","Huang, Yubing; Hong, Huanliang; Zou, Zirong; Liao, Chunshu; Lu, Jingjun; Qin, Yongwei; Li, Yibiao; Chen, Lu","Electrochemical vicinal aminotrifluoromethylation of alkenes: high regioselective acquisition of β-trifluoromethylamines.","Organic & biomolecular chemistry","2019","17","20","5014","5020","10.1039/c9ob00717b","","x-ray","0.71073","MoKα","","0.0646","0.0476","","","0.0988","0.1088","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156809","12.47","0.003","11.66","0.002","16.913","0.004","90","","106.043","0.008","90","","2363.4","0.9","158","2","158","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O2 -","- C30 H28 N2 O2 -","- C120 H112 N8 O8 -","4","1","","Ali, Sk Asraf; Mondal, Suresh Kumar; Das, Tapas; Manna, Susanta Kumar; Bera, Anirban; Dafadar, Debabrata; Naskar, Sourenjit; Molla, Mijanur Rahaman; Samanta, Shubhankar","One-pot tandem cyclisation to pyrrolo[1,2-a][1,4]benzodiazepines: a modified approach to the Pictet-Spengler reaction.","Organic & biomolecular chemistry","2019","17","18","4652","4662","10.1039/c9ob00448c","","","0.71073","MoKα","","0.0751","0.0563","","","0.1389","0.1541","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156810","7.6174","0.0003","26.721","0.0013","34.0314","0.0014","90","","90","","90","","6926.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 S -","- C30 H24 O2 S -","- C360 H288 O24 S12 -","12","3","","Feng, Ze-Nan; Luo, Jin-Yun; Zhang, Yang; Du, Guang-Fen; He, Lin","N-Heterocyclic carbene-catalyzed diastereoselective synthesis of sulfenylated indanes via sulfa-Michael-Michael (aldol) cascade reactions.","Organic & biomolecular chemistry","2019","17","19","4700","4704","10.1039/c9ob00210c","","","0.71073","MoKα","","0.1403","0.0637","","","0.1007","0.1306","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156811","10.3859","0.001","17.6141","0.001","22.8451","0.0019","90","","94.387","0.008","90","","4167","0.6","150","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dyad","","","- C56 H43 Fe N3 -","- C56 H43 Fe N3 -","- C224 H172 Fe4 N12 -","4","1","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Covalently linked meso-tetraaryl triphyrin(2.1.1)-ferrocene(s) conjugates: synthesis and properties.","Organic & biomolecular chemistry","2019","17","20","5066","5074","10.1039/c9ob00647h","","x-ray","0.71073","MoKα","","0.4362","0.1807","","","0.3922","0.5288","","","","","","1.106","","","","has coordinates","225179","2020-10-21","18:00:00",""
"7156812","12.3938","0.0004","14.5761","0.0008","18.8153","0.0011","79.216","0.005","89.365","0.004","75.485","0.004","3230.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N3 O S -","- C18 H17 N3 O S -","- C144 H136 N24 O8 S8 -","8","4","","Guo, Jun-Ru; Gong, Jun-Fang; Song, Mao-Ping","Nickel(ii)-catalyzed C(sp<sup>2</sup>)-H sulfuration/annulation with elemental sulfur: selective access to benzoisothiazolones.","Organic & biomolecular chemistry","2019","17","20","5029","5037","10.1039/c9ob00449a","","x-ray","1.54184","CuKα","","0.0959","0.0787","","","0.2182","0.2302","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156813","15.5752","0.0005","15.9896","0.0008","43.3052","0.0015","90","","90","","90","","10784.8","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H79 B2 Li O4 -","- C61 H79 B2 Li O4 -","- C488 H632 B16 Li8 O32 -","8","1","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.1445","0.0788","","","0.1614","0.1864","","","","","","1.049","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156814","5.7975","0.0006","21.031","0.0017","10.4761","0.0009","90","","93.583","0.007","90","","1274.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 B2 O4 -","- C30 H26 B2 O4 -","- C60 H52 B4 O8 -","2","0.5","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.0621","0.0483","","","0.1272","0.1351","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156815","12.764","0.002","12.784","0.002","14.741","0.003","93.062","0.013","91.927","0.013","96.748","0.012","2383.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H66 B Li O4 -","- C58 H66 B Li O4 -","- C116 H132 B2 Li2 O8 -","2","1","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.1671","0.0881","","","0.167","0.1902","","","","","","1.162","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156816","11.0838","0.0015","11.5129","0.0014","12.6492","0.0017","114.953","0.009","98.468","0.011","98.014","0.01","1410.5","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 B Cl3 O -","- C34 H24 B Cl3 O -","- C68 H48 B2 Cl6 O2 -","2","1","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.2127","0.0966","","","0.1969","0.2301","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156817","7.4796","0.0007","8.7825","0.0008","14.3379","0.0014","79.991","0.008","78.903","0.008","89.752","0.007","909.76","0.15","152","1","152","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 F N2 O -","- C22 H21 F N2 O -","- C44 H42 F2 N4 O2 -","2","1","","Sawengngen, Nattawut; Chalikidi, Petrakis N.; Araby, Sara; Hampel, Frank; Gmeiner, Peter; Serdyuk, Olga V.","Synthesis of pyrazolylvinyl ketones from furan derivatives.","Organic & biomolecular chemistry","2019","17","19","4850","4855","10.1039/c9ob00701f","","x-ray","1.54184","CuKα","","0.063","0.0497","","","0.1258","0.1403","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156818","4.84497","0.00009","20.0214","0.0004","15.7697","0.0003","90","","96.9103","0.0018","90","","1518.6","0.05","108.9","0.7","108.9","0.7","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Liu, Can; Zhu, Xianjin; Han, Yongzhen; Yang, Haijun; Zhu, Changjin; Fu, Hua","Superbase-promoted selective carbon-carbon bond cleavage driven by aromatization.","Organic & biomolecular chemistry","2019","17","20","4984","4989","10.1039/c9ob00606k","","x-ray","1.54184","CuKα","","0.0501","0.0406","","","0.101","0.1083","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156819","10.4005","0.0015","17.879","0.003","22.883","0.003","90","","95.991","0.003","90","","4231.9","1.1","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 N4 O12 -","- C44 H48 N4 O12 -","- C176 H192 N16 O48 -","4","1","","Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong","Synthesis, structure, and anion binding of functional oxacalix[4]arenes.","Organic & biomolecular chemistry","2019","17","20","5075","5085","10.1039/c9ob00613c","","","0.71073","MoKα","","0.1327","0.0588","","","0.118","0.1501","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156820","9.7079","0.0011","14.071","0.0018","20.822","0.003","90","","90","","90","","2844.3","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H16 N4 O16 -","- C28 H16 N4 O16 -","- C112 H64 N16 O64 -","4","1","","Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong","Synthesis, structure, and anion binding of functional oxacalix[4]arenes.","Organic & biomolecular chemistry","2019","17","20","5075","5085","10.1039/c9ob00613c","","","0.71073","MoKα","","0.0776","0.0374","","","0.0817","0.1031","","","","","","1.06","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156821","8.71","0.004","11.844","0.006","13.132","0.006","94.145","0.009","105.695","0.004","103.095","0.009","1257.3","1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 N4 O16 -","- C48 H52 N4 O16 -","- C48 H52 N4 O16 -","1","0.5","","Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong","Synthesis, structure, and anion binding of functional oxacalix[4]arenes.","Organic & biomolecular chemistry","2019","17","20","5075","5085","10.1039/c9ob00613c","","","0.7107","MoKα","","0.0559","0.0384","","","0.0987","0.1068","","","","","","0.941","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156822","18.4591","0.0005","18.4591","0.0005","40.8718","0.0014","90","","90","","90","","13926.6","0.7","173","2","173.15","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C72 H51 B F24 Ir N2 P -","- C72 H51 B F24 Ir N2 P -","- C576 H408 B8 F192 Ir8 N16 P8 -","8","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","","0.71073","MoKα","","0.0734","0.0679","","","0.108","0.1095","","","","","","1.271","","","","has coordinates,has disorder","301861","2025-08-22","11:12:41",""
"7156823","12.8895","0.0001","18.6285","0.0002","13.366","0.0001","90","","93.067","0.001","90","","3204.74","0.05","170","0.1","170","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H51 B F24 Ir N2 P -","- C68 H51 B F24 Ir N2 P -","- C136 H102 B2 F48 Ir2 N4 P2 -","2","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","x-ray","0.71073","MoKα","","0.0281","0.0264","","","0.0671","0.0676","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:41",""
"7156824","9.18906","0.00005","17.8998","0.0001","11.33563","0.00006","90","","92.2391","0.0005","90","","1863.09","0.018","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","2","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","x-ray","1.54184","CuKα","","0.0364","0.0355","","","0.0931","0.0946","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:44",""
"7156825","7.6291","0.0001","10.743","0.0002","13.7168","0.0002","86.396","0.001","79.04","0.001","84.807","0.001","1097.99","0.03","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N2 O2 S -","- C27 H24 N2 O2 S -","- C54 H48 N4 O4 S2 -","2","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","x-ray","0.71073","MoKα","","0.041","0.0362","","","0.103","0.1063","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156826","18.457","0.003","18.457","0.003","41.453","0.008","90","","90","","90","","14121","4","173","2","173.15","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C72 H57 B F24 Ir N2 P -","- C72 H57 B F24 Ir N2 P -","- C576 H456 B8 F192 Ir8 N16 P8 -","8","1","","Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua","Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.","Organic & biomolecular chemistry","2019","17","20","5099","5105","10.1039/c9ob00770a","","","0.71073","MoKα","","0.0957","0.09","","","0.1633","0.1652","","","","","","1.303","","","","has coordinates,has disorder","301861","2025-08-22","11:12:54",""
"7156827","23.533","0.002","10.2022","0.0011","16.6772","0.0018","90","","120.507","0.006","90","","3449.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 B F2 N2 O -","- C19 H17 B F2 N2 O -","- C152 H136 B8 F16 N16 O8 -","8","1","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","","0.71073","MoKα","","0.0956","0.0609","","","0.1484","0.1661","","","","","","1.039","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156828","10.4898","0.001","13.5801","0.0013","20.312","0.002","101.032","0.001","98.314","0.001","96.277","0.001","2782.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 B F2 N2 O -","- C16 H11 B F2 N2 O -","- C128 H88 B8 F16 N16 O8 -","8","4","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","","0.71073","MoKα","","0.1492","0.0686","","","0.1333","0.1683","","","","","","0.987","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156829","10.5781","0.001","24.622","0.002","10.7523","0.0011","90","","103.295","0.001","90","","2725.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 B F2 N2 O2 -","- C32 H25 B F2 N2 O2 -","- C128 H100 B4 F8 N8 O8 -","4","1","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","","0.71073","MoKα","","0.0944","0.053","","","0.1272","0.1466","","","","","","1.038","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156830","12.522","0.003","15.93","0.004","13.262","0.003","90","","114.631","0.003","90","","2404.7","1","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2017","","- C1.69 H1.38 B0.12 F0.25 N0.25 -","- C1.6875 H1.375 B0.125 F0.25 N0.25 -","- C108 H88 B8 F16 N16 -","64","16","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan","Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.","Organic & biomolecular chemistry","2019","17","20","5121","5128","10.1039/c9ob00927b","","x-ray","0.71073","MoKα","","0.1884","0.0823","","","0.2292","0.2878","","","","","","0.887","","","","has coordinates","291311","2024-04-22","12:38:04",""
"7156831","8.5801","0.0005","10.7434","0.0008","19.1136","0.0012","90.562","0.006","95.92","0.005","97.534","0.006","1736.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","2","","Kramer, Philipp; Krieg, Sara-Cathrin; Kelm, Harald; Manolikakes, Georg","Manganese(iii) acetate-mediated direct C(sp<sup>2</sup>)-H-sulfonylation of enamides with sodium and lithium sulfinates.","Organic & biomolecular chemistry","2019","17","22","5538","5544","10.1039/c9ob00825j","","","1.54184","CuKα","","0.0646","0.045","","","0.1093","0.121","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156832","10.1301","0.0002","6.6395","0.0001","23.1337","0.0005","90","","91.894","0.002","90","","1555.09","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Kramer, Philipp; Krieg, Sara-Cathrin; Kelm, Harald; Manolikakes, Georg","Manganese(iii) acetate-mediated direct C(sp<sup>2</sup>)-H-sulfonylation of enamides with sodium and lithium sulfinates.","Organic & biomolecular chemistry","2019","17","22","5538","5544","10.1039/c9ob00825j","","","1.54184","CuKα","","0.0376","0.0351","","","0.0946","0.0972","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156833","11.164","0.012","12.003","0.013","17.508","0.018","90","","99.033","0.013","90","","2317","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C96 H104 N8 O24 -","4","1","","Sun, Fang; Yin, Tingrui; Feng, Anni; Hu, Yong; Yu, Chenxia; Li, Tuanjie; Yao, Changsheng","Base-promoted regiodivergent allylation of N-acylhydrazones with Morita-Baylis-Hillman carbonates by tuning the catalyst.","Organic & biomolecular chemistry","2019","17","21","5283","5293","10.1039/c9ob00194h","","","0.71073","MoKα","","0.082","0.0531","","","0.1519","0.1744","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156834","6.9301","0.0003","12.5301","0.0007","17.0571","0.001","85.888","0.005","88.194","0.004","79.004","0.004","1449.97","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O6 -","- C15 H15 N O6 -","- C60 H60 N4 O24 -","4","2","","Zhao, Jian-Qiang; Yang, Lei; You, Yong; Wang, Zhen-Hua; Xie, Ke-Xin; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Phosphine-catalyzed dearomative (3 + 2) annulation of 2-nitrobenzofurans and nitrobenzothiophenes with allenoates.","Organic & biomolecular chemistry","2019","17","21","5294","5304","10.1039/c9ob00775j","","x-ray","1.54184","CuKα","","0.0633","0.0496","","","0.1333","0.148","","","","","","1.039","","","","has coordinates,has disorder","301861","2025-08-22","11:12:54",""
"7156835","6.6617","0.0005","6.6834","0.0005","22.736","0.002","90","","95.148","0.006","90","","1008.19","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)formamide","","- C10 H10 F3 N O2 -","- C10 H10 F3 N O2 -","- C40 H40 F12 N4 O8 -","4","2","","Otevrel, Jan; Svestka, David; Bobal, Pavel","Bianthryl-based organocatalysts for the asymmetric Henry reaction of fluoroketones.","Organic & biomolecular chemistry","2019","17","21","5244","5248","10.1039/c9ob00884e","","","0.71073","MoKα","","0.0342","0.0315","","","0.0731","0.0748","","","","","","0.965","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156836","15.676","0.004","5.9027","0.0013","16.875","0.004","90","","104.625","0.007","90","","1510.9","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H41 N O4 -","- C36 H41 N O4 -","- C72 H82 N2 O8 -","2","1","","Jiang, Chunfeng; Liu, Quan; Liu, Jiaming; Liu, Kaixuan; Tian, Liangliang; Duan, Mingfei; Wang, Ying; Shen, Zhufang; Xu, Youjun","Selective synthesis of 3-deoxy-5-hydroxy-1-amino-carbasugars as potential α-glucosidase inhibitors.","Organic & biomolecular chemistry","2019","17","21","5381","5391","10.1039/c9ob00762h","","","0.71073","MoKα","","0.106","0.0555","","","0.1068","0.1326","","","","","","0.927","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156837","9.9148","0.0003","10.2958","0.0003","14.4151","0.0005","90","","109.169","0.002","90","","1389.92","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H23 Br F3 N4 O2 -","- C33 H23 Br F3 N4 O2 -","- C66 H46 Br2 F6 N8 O4 -","2","1","","Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin","The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2019","17","22","5514","5519","10.1039/c9ob00720b","","","1.54178","CuKα","","0.0275","0.0261","","","0.0595","0.0605","","","","","","1.002","","","","has coordinates","225053","2020-10-21","18:00:00",""
"7156838","10.1503","0.0006","7.5835","0.0004","17.626","0.001","90","","93.768","0.002","90","","1353.82","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H23 Br F3 N4 O2 -","- C33 H23 Br F3 N4 O2 -","- C66 H46 Br2 F6 N8 O4 -","2","1","","Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin","The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2019","17","22","5514","5519","10.1039/c9ob00720b","","","1.54178","CuKα","","0.0282","0.027","","","0.0612","0.0621","","","","","","1","","","","has coordinates","225053","2020-10-21","18:00:00",""
"7156839","10.1089","0.0005","12.9197","0.0006","14.1096","0.0007","105.902","0.002","108.629","0.002","106.656","0.002","1531.34","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 Cl F3 N4 O2 -","- C33 H23 Cl F3 N4 O2 -","- C66 H46 Cl2 F6 N8 O4 -","2","1","","Wang, Cui; Wen, Dongwa; Chen, Hui; Deng, Yabo; Liu, Xueting; Liu, Xin; Wang, Li; Gao, Fengyun; Guo, Yifei; Sun, Mengmeng; Wang, Kairong; Yan, Wenjin","The catalytic asymmetric synthesis of CF<sub>3</sub>-containing spiro-oxindole-pyrrolidine-pyrazolone compounds through squaramide-catalyzed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2019","17","22","5514","5519","10.1039/c9ob00720b","","","1.54178","CuKα","","0.0533","0.0474","","","0.1395","0.1455","","","","","","1.001","","","","has coordinates","225053","2020-10-21","18:00:00",""
"7156840","19.549","0.0016","9.8719","0.0008","10.8488","0.0008","90","","90","","90","","2093.7","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 I2 O P -","- C22 H19 I2 O P -","- C88 H76 I8 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0351","0.0347","","","0.1018","0.1021","","","","","","1.123","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156841","8.3026","0.0002","8.563","0.0002","30.125","0.0008","90","","90","","90","","2141.74","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 I N3 O2 P -","- C22 H19 I N3 O2 P -","- C88 H76 I4 N12 O8 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","1.54184","CuKα","","0.0488","0.0476","","","0.1251","0.1264","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156842","8.209","0.003","16.624","0.007","15.715","0.006","90","","92.215","0.006","90","","2143","1.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 I N3 O P -","- C22 H19 I N3 O P -","- C88 H76 I4 N12 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0295","0.0268","","","0.0682","0.0698","","","","","","1.086","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156843","9.1543","0.0003","10.061","0.0004","22.0753","0.0009","90","","91.464","0.003","90","","2032.5","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 I N3 O P -","- C21 H17 I N3 O P -","- C84 H68 I4 N12 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","1.54184","CuKα","","0.0774","0.0726","","","0.19","0.1985","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156844","8.9643","0.0004","11.6596","0.0006","14.2643","0.0007","69.832","0.002","71.872","0.002","79.193","0.002","1324.64","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 I N3 O P -","- C30 H25 I N3 O P -","- C60 H50 I2 N6 O2 P2 -","2","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0354","0.0293","","","0.079","0.0875","","","","","","1.137","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156845","8.2639","0.0011","8.504","0.0013","29.114","0.005","90","","96.974","0.005","90","","2030.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl F I O P -","- C21 H16 Cl F I O P -","- C84 H64 Cl4 F4 I4 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0918","0.0516","","","0.0947","0.1046","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156846","8.2948","0.0019","26.144","0.006","14.533","0.003","90","","94.408","0.004","90","","3142.3","1.2","273","2","273","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H19 F I O2 P -","- C22 H19 F I O2 P -","- C132 H114 F6 I6 O12 P6 -","6","3","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0933","0.0715","","","0.17","0.1844","","","","","","0.948","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156847","16.7231","0.0017","7.852","0.0008","12.4005","0.0017","90","","103.7","0.013","90","","1582","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 F I O3 P -","- C14 H17 F I O3 P -","- C56 H68 F4 I4 O12 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0688","0.0536","","","0.1426","0.1714","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156848","9.115","0.0007","10.399","0.001","19.1186","0.0018","90","","92.325","0.004","90","","1810.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 I2 O3 P -","- C15 H17 I2 O3 P -","- C60 H68 I8 O12 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.088","0.0869","","","0.26","0.2603","","","","","","1.195","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156849","29.548","0.004","8.3033","0.0008","8.5609","0.0011","90","","90","","90","","2100.4","0.4","297","2","297","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl I N3 O P -","- C21 H16 Cl I N3 O P -","- C84 H64 Cl4 I4 N12 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0974","0.078","","","0.2043","0.2136","","","","","","1.121","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156850","9.6921","0.0013","9.8549","0.0012","11.1815","0.0015","90","","107.996","0.004","90","","1015.7","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 F I O P -","- C22 H19 F I O P -","- C44 H38 F2 I2 O2 P2 -","2","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0319","0.0308","","","0.0935","0.0944","","","","","","1.142","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156851","8.0352","0.0017","12.627","0.003","33.738","0.01","90","","90","","90","","3423.1","1.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 -","- C23 H19 N3 -","- C184 H152 N24 -","8","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","1.54178","CuKα","","0.0368","0.0321","","","0.0801","0.0828","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156852","9.6209","0.0008","10.4364","0.0008","14.6138","0.0012","87.2358","0.0013","82.3312","0.0013","64.4367","0.0012","1311.79","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H26 Cl N3 O -","- C30.5 H26 Cl N3 O -","- C61 H52 Cl2 N6 O2 -","2","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","0.71073","MoKα","","0.1104","0.0726","","","0.1863","0.2137","","","","","","1.049","","","","has coordinates,has disorder","301861","2025-08-22","11:12:54",""
"7156853","21.9776","0.0014","8.2312","0.0005","15.9421","0.0011","90","","94.9609","0.0012","90","","2873.2","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Br N3 O -","- C17 H12 Br N3 O -","- C136 H96 Br8 N24 O8 -","8","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","0.71073","MoKα","","0.0639","0.0372","","","0.0774","0.086","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156854","9.4665","0.001","10.3663","0.0011","12.9597","0.0014","101.761","0.003","90.841","0.003","113.945","0.003","1131.2","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 N3 O2 -","- C28 H23 N3 O2 -","- C56 H46 N6 O4 -","2","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","0.71073","MoKα","","0.1169","0.0592","","","0.1261","0.1526","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156855","8.1","0.001","9.6228","0.0012","14.778","0.0018","98.898","0.002","99.647","0.002","113.901","0.002","1006","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O2 S -","- C24 H21 N O2 S -","- C48 H42 N2 O4 S2 -","2","1","","Sunil, Komalla; Thummala, Yadagiri; Dalovai, Purnachandar; Balasubramanian, Sridhar; Karunakar, Galla V.","A gold-catalyzed facile intramolecular rearrangement and cyclization sequence for synthesis of 2,5-dihydrofurans.","Organic & biomolecular chemistry","2019","17","24","6015","6024","10.1039/c9ob00756c","","","0.71073","MoKα","","0.0923","0.0653","","","0.1523","0.1667","","","","","","1.105","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156856","10.6779","0.0002","10.889","0.0002","36.8908","0.0007","90","","90","","90","","4289.35","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H24 B N -","- C30 H24 B N -","- C240 H192 B8 N8 -","8","1","","Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro","Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.","Organic & biomolecular chemistry","2019","17","22","5500","5504","10.1039/c9ob00934e","","","0.71073","MoKa","","0.0453","0.0416","","","0.1091","0.1119","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156857","26.0787","0.0016","18.5482","0.0005","11.033","0.0005","90","","103.001","0.006","90","","5200","0.4","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 B Cl3 N -","- C31 H27 B Cl3 N -","- C248 H216 B8 Cl24 N8 -","8","2","","Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro","Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.","Organic & biomolecular chemistry","2019","17","22","5500","5504","10.1039/c9ob00934e","","","0.71073","MoKa","","0.0636","0.045","","","0.1026","0.1112","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156858","14.8017","0.0012","18.2064","0.0015","20.8364","0.0018","92.0893","0.0011","104.083","0.0011","111.301","0.001","5025.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74.18 H83.2 N28 Na3.31 O37.45 S4 -","- C74.187 H83.205 N28 Na3.314 O37.447 S4 -","- C148.374 H166.41 N56 Na6.628 O74.894 S8 -","2","1","","Xue, Weijian; Zavalij, Peter Y.; Isaacs, Lyle","Triazole functionalized acyclic cucurbit[n]uril-type receptors: host·guest recognition properties.","Organic & biomolecular chemistry","2019","17","22","5561","5569","10.1039/c9ob00906j","","","0.71073","MoKα","","0.1519","0.1205","","","0.2253","0.2399","","","","","","1.094","","","","has coordinates,has disorder","225060","2020-10-21","18:00:00",""
"7156859","22.6003","0.0004","12.4998","0.0002","22.7021","0.0004","90","","104.127","0.001","90","","6219.37","0.19","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H82 Cu2 N4 O4 S2 -","- C64 H82 Cu2 N4 O4 S2 -","- C256 H328 Cu8 N16 O16 S8 -","4","1","","Jang, Won Jun; Kang, Byung-Nam; Lee, Ji Hun; Choi, Yoon Mi; Kim, Chong-Hyeak; Yun, Jaesook","NHC-copper-thiophene-2-carboxylate complex for the hydroboration of terminal alkynes.","Organic & biomolecular chemistry","2019","17","21","5249","5252","10.1039/c9ob00839j","","","0.71073","MoKα","","0.0596","0.0403","","","0.1129","0.1251","","","","","","1.052","","","","has coordinates,has disorder","225257","2020-10-21","18:00:00",""
"7156860","8.8036","0.0018","10.75","0.002","11.597","0.002","74.87","0.03","89.66","0.03","71.84","0.03","1003.3","0.4","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","(2'S,3R,3'S)-3'-(4-bromophenyl)-2''-phenyl-4''H-dispiro[indoline-3,1'-cyclopropane-2',5''-thiazole]-2,4''-dione","","- C24 H15 Br N2 O2 S -","- C24 H15 Br N2 O2 S -","- C48 H30 Br2 N4 O4 S2 -","2","1","","Song, Yong-Xing; Du, Da-Ming","Asymmetric synthesis of spirooxindole-fused spirothiazolones via squaramide-catalysed reaction of 3-chlorooxindoles with 5-alkenyl thiazolones.","Organic & biomolecular chemistry","2019","17","21","5375","5380","10.1039/c9ob00998a","","","0.71073","MoKα","","0.0421","0.0386","","","0.0916","0.0942","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156861","6.8998","0.0002","11.7197","0.0003","26.4465","0.0006","90","","90","","90","","2138.56","0.1","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl F N2 O3 S -","- C23 H24 Cl F N2 O3 S -","- C92 H96 Cl4 F4 N8 O12 S4 -","4","1","","Panduwawala, Tharindi D.; Iqbal, Sarosh; Thompson, Amber L.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Liu, Shuang; Ebright, Richard H.; Howells, Alison; Maxwell, Anthony; Moloney, Mark G.","Functionalised bicyclic tetramates derived from cysteine as antibacterial agents.","Organic & biomolecular chemistry","2019","17","22","5615","5632","10.1039/c9ob01076a","","","1.5418","CuKα","","0.0263","0.0257","","0.0689","0.0681","0.0689","","","","","","1.0068","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156862","7.5793","0.0003","15.2528","0.0005","15.4509","0.0005","90","","90","","90","","1786.21","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O4 S -","- C21 H22 O4 S -","- C84 H88 O16 S4 -","4","1","","Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar","TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.","Organic & biomolecular chemistry","2019","17","23","5749","5759","10.1039/c9ob00649d","","","0.71073","MoKα","","0.0357","0.0308","","","0.0818","0.0873","","","","","","1.099","","","","has coordinates,has disorder","225249","2020-10-21","18:00:00",""
"7156863","18.466","0.002","9.1472","0.0009","13.5472","0.0015","90","","90.909","0.004","90","","2288","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","1","","Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar","TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.","Organic & biomolecular chemistry","2019","17","23","5749","5759","10.1039/c9ob00649d","","","0.71073","MoKα","","0.1001","0.0736","","","0.1245","0.134","","","","","","1.156","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156864","7.3474","0.0004","13.1574","0.0008","14.7373","0.0009","65.265","0.002","78.643","0.002","79.941","0.002","1261.82","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","2","","Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar","TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.","Organic & biomolecular chemistry","2019","17","23","5749","5759","10.1039/c9ob00649d","","","0.71073","MoKα","","0.0479","0.0424","","","0.1094","0.1136","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156865","11.638","0.004","14.774","0.006","14.105","0.005","90","","101.385","0.01","90","","2377.5","1.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N4 O3 S -","- C27 H22 N4 O3 S -","- C108 H88 N16 O12 S4 -","4","1","","Jana, Asim; Bhaumick, Prabhas; Panday, Anoop Kumar; Mishra, Richa; Choudhury, Lokman H.","I<sub>2</sub>/DMSO mediated multicomponent reaction for the synthesis of 2-arylbenzo[d]imidazo[2,1-b] thiazole derivatives.","Organic & biomolecular chemistry","2019","17","21","5316","5330","10.1039/c9ob00515c","","","0.71073","MoKα","","0.1627","0.0671","","","0.1318","0.1679","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156866","10.9535","0.0005","7.9162","0.0003","11.9942","0.0005","90","","98.836","0.004","90","","1027.68","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H14 F2 O4 -","- C9 H14 F2 O4 -","- C36 H56 F8 O16 -","4","2","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0477","0.0404","","","0.0907","0.0943","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156867","5.6134","0.0002","10.6394","0.0003","21.7983","0.0005","90","","90","","90","","1301.86","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F2 O3 -","- C6 H8 F2 O3 -","- C48 H64 F16 O24 -","8","2","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0297","0.0274","","","0.0666","0.0674","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156868","8.3866","0.0002","8.4182","0.0002","10.232","0.0002","90","","90","","90","","722.38","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 F2 O4 -","- C6 H10 F2 O4 -","- C24 H40 F8 O16 -","4","1","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0223","0.0218","","","0.0606","0.0609","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156869","21.893","0.002","16.15","0.001","20.433","0.001","90","","95.293","0.005","90","","7193.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C100 H35 O20 -","- C111 H58 O10 -","- C444 H232 O40 -","4","1","","Kraevaya, Ol'ga A.; Peregudov, Alexander S.; Troyanov, Sergey I.; Godovikov, Ivan; Fedorova, Natalya E.; Klimova, Regina R.; Sergeeva, Vasilina A.; Kameneva, Larisa V.; Ershova, Elizaveta S.; Martynenko, Vyacheslav M.; Claes, Sandra; Kushch, Alla A.; Kostyuk, Svetlana V.; Schols, Dominique; Shestakov, Alexander F.; Troshin, Pavel A.","Diversion of the Arbuzov reaction: alkylation of C-Cl instead of phosphonic ester formation on the fullerene cage.","Organic & biomolecular chemistry","2019","17","30","7155","7160","10.1039/c9ob00593e","","","0.895","synchrotron","","0.2316","0.1818","","","0.3751","0.3908","","","","","","1.011","","","","has coordinates","225228","2020-10-21","18:00:00",""
"7156870","9.164","0.0012","10.0512","0.0013","28.621","0.004","90","","90.278","0.005","90","","2636.2","0.6","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N O3 P -","- C31 H30 N O3 P -","- C124 H120 N4 O12 P4 -","4","1","","Boureghda, Chaima; Macé, Aurélie; Berrée, Fabienne; Roisnel, Thierry; Debache, Abdelmadjid; Carboni, Bertrand","Ene reactions of 2-borylated α-methylstyrenes: a practical route to 4-methylenechromanes and derivatives.","Organic & biomolecular chemistry","2019","17","23","5789","5800","10.1039/c9ob00963a","","x-ray","0.71073","MoKα","","0.1164","0.1019","","","0.2171","0.2239","","","","","","1.172","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156871","13.7694","0.0004","12.6853","0.0004","16.4364","0.0005","90","","107.839","0.003","90","","2732.9","0.15","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","1","","Wu, Mingchang; Yang, Junhang; Luo, Fang; Cheng, Cungui; Zhu, Gangguo","Iron-catalyzed domino Knoevenagel-hetero-Diels-Alder reaction: facile access to oxabicyclo[3.3.1]nonene derivatives.","Organic & biomolecular chemistry","2019","17","23","5684","5687","10.1039/c9ob00836e","","","0.71073","MoKα","","0.1042","0.0743","","","0.2455","0.2738","","","","","","1.879","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156872","8.1811","0.0005","12.0413","0.0009","12.5311","0.001","74.768","0.007","73.263","0.006","72.295","0.006","1105.21","0.15","150.02","0.1","150.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 B F4 O2 -","- C28 H21 B F4 O2 -","- C56 H42 B2 F8 O4 -","2","1","","Warner, Andrew J.; Enright, Kieron M.; Cole, John M.; Yuan, Kang; McGough, John S.; Ingleson, Michael J.","Borylative cyclisation of diynes using BCl<sub>3</sub> and borocations.","Organic & biomolecular chemistry","2019","17","22","5520","5525","10.1039/c9ob00991d","","","0.71073","MoKα","","0.0989","0.0587","","","0.1168","0.1433","","","","","","1.0502","","","","has coordinates","225055","2020-10-21","18:00:00",""
"7156873","9.8844","0.0008","11.0536","0.0008","12.8011","0.0009","72.871","0.007","85.108","0.006","75.762","0.007","1295.41","0.18","150.03","0.1","150.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 B Cl O4 -","- C30 H30 B Cl O4 -","- C60 H60 B2 Cl2 O8 -","2","1","","Warner, Andrew J.; Enright, Kieron M.; Cole, John M.; Yuan, Kang; McGough, John S.; Ingleson, Michael J.","Borylative cyclisation of diynes using BCl<sub>3</sub> and borocations.","Organic & biomolecular chemistry","2019","17","22","5520","5525","10.1039/c9ob00991d","","","0.71073","MoKα","","0.0786","0.0531","","","0.1183","0.1396","","","","","","1.0457","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156876","6.495","0.003","17.713","0.008","21.586","0.01","90","","90","","90","","2483","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-methyl-3-(4-nitrophenyl)-5,6a-dihydroisothiazolo[5,4-d]isoxazol-6(3aH)-one 4,4-dioxide","","- C11 H9 N3 O6 S -","- C11 H9 N3 O6 S -","- C88 H72 N24 O48 S8 -","8","1","","Lin, Yifan; Zhang, Ke; Gao, Mingchun; Jiang, Zheyi; Liu, Jiajie; Ma, Yurui; Wang, Haoyu; Tan, Qitao; Xiao, Junjie; Xu, Bin","Copper nitrate-mediated synthesis of 3-aryl isoxazolines and isoxazoles from olefinic azlactones.","Organic & biomolecular chemistry","2019","17","22","5509","5513","10.1039/c9ob00857h","","","0.71073","MoKα","","0.0504","0.0374","","","0.1022","0.111","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156877","12.8593","0.0008","14.1412","0.001","6.7109","0.0005","90","","90","","90","","1220.35","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Li, Ping-Gui; Zhu, Hao; Fan, Min; Yan, Cheng; Shi, Kai; Chi, Xi-Wen; Zou, Liang-Hua","Copper-catalyzed coupling of anthranils and α-keto acids: direct synthesis of α-ketoamides.","Organic & biomolecular chemistry","2019","17","24","5902","5907","10.1039/c9ob00822e","","","0.71073","MoKα","","0.0343","0.031","","","0.0792","0.0812","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156878","11.3174","0.0002","13.2547","0.0003","7.8913","0.0002","90","","90","","90","","1183.76","0.05","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H16 B N O4 -","- C12 H16 B N O4 -","- C48 H64 B4 N4 O16 -","4","1","","Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin","Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.","Organic & biomolecular chemistry","2019","17","24","5908","5912","10.1039/c9ob00726a","","","1.54178","CuKα","","0.0287","0.0276","","","0.0729","0.074","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156879","13.3622","0.0006","9.2625","0.0004","8.695","0.0004","90","","94.734","0.002","90","","1072.49","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 B N O4 -","- C11 H14 B N O4 -","- C44 H56 B4 N4 O16 -","4","1","","Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin","Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.","Organic & biomolecular chemistry","2019","17","24","5908","5912","10.1039/c9ob00726a","","","1.54178","CuKα","","0.0598","0.0543","","","0.1538","0.1598","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156880","10.1546","0.0003","10.8743","0.0004","13.3084","0.0005","85.375","0.002","77.474","0.001","63.999","0.001","1289.22","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","WIN573","","","- C28 H21 Br F3 N O4 -","- C28 H21 Br F3 N O4 -","- C56 H42 Br2 F6 N2 O8 -","2","1","","Winter, Michael; Faust, Kirill; Himmelsbach, Markus; Waser, Mario","Synthesis of α-CF<sub>3</sub>-proline derivatives by means of a formal (3 + 2)-cyclisation between trifluoropyruvate imines and Michael acceptors.","Organic & biomolecular chemistry","2019","17","23","5731","5735","10.1039/c9ob01134j","","","0.71073","MoKα","","0.0881","0.0474","","","0.0911","0.1055","","","","","","1.125","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156881","19.9226","0.0004","12.6653","0.0003","18.9998","0.0004","90","","101.605","0.001","90","","4696.13","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N O6 -","- C24 H35 N O6 -","- C192 H280 N8 O48 -","8","2","","Antonova, Yulia A.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu; Ioffe, Sema L.; Tabolin, Andrey A.","Tandem double acylation/[3,3]-rearrangement of aliphatic nitro compounds: a route to α-oxygenated oxime derivatives.","Organic & biomolecular chemistry","2019","17","24","5997","6006","10.1039/c9ob01005j","","","1.54178","CuKα","","0.0381","0.033","","","0.0879","0.0923","","","","","","1.0336","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156882","7.7673","0.0002","8.9291","0.0003","12.6819","0.0004","99.235","0.002","90.839","0.002","93.211","0.002","866.54","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C38 H40 O12 -","2","1","","O'Boyle, Niamh M; Ana, Gloria; Kelly, Patrick M.; Nathwani, Seema M.; Noorani, Sara; Fayne, Darren; Bright, Sandra A.; Twamley, Brendan; Zisterer, Daniela M.; Meegan, Mary J.","Synthesis and evaluation of antiproliferative microtubule-destabilising combretastatin A-4 piperazine conjugates.","Organic & biomolecular chemistry","2019","17","25","6184","6200","10.1039/c9ob00558g","","x-ray","1.54178","CuKα","","0.0686","0.0518","","","0.138","0.1501","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156883","7.943","0.005","8.981","0.005","22.131","0.005","90","0.005","96.657","0.005","90","0.005","1568.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl N2 O -","- C19 H13 Cl N2 O -","- C76 H52 Cl4 N8 O4 -","4","1","","Kumar, Ritush; Singh, Radhey M.","Metal-free POCl<sub>3</sub> promoted stereoselective hydrochlorination of ethynylated azaheterocycles.","Organic & biomolecular chemistry","2019","17","24","5990","5996","10.1039/c9ob00841a","","","0.71073","MoKα","","0.1461","0.0635","","","0.1325","0.1738","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156884","9.6679","0.0009","9.2605","0.0009","20.717","0.002","90","","101.965","0.003","90","","1814.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Borra, Satheesh; Borkotoky, Lodsna; Newar, Uma Devi; Kalwar, Anshu; Das, Babulal; Maurya, Ram Awatar","Visible light triggered photo-decomposition of vinyl azides to (E)-stilbene derivatives via 1,2-acyl migration.","Organic & biomolecular chemistry","2019","17","24","5971","5981","10.1039/c9ob01035a","","","0.71073","MoKα","","0.0523","0.0397","","","0.0867","0.0965","","","","","","0.983","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156885","8.96","0.002","11.752","0.003","15.156","0.004","90.717","0.004","103.972","0.003","92.265","0.004","1547.1","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H74 O4 S4 -","- C74 H74 O4 S4 -","- C74 H74 O4 S4 -","1","0.5","","Hu, Jie-Ying; Sun, Yan-Qiong; Xiao, Ran; Cheng, Shengxian; He, Jun; Zeller, Matthias; Wong, Wai-Yeung; Xu, Zhengtao","Symmetrically backfolded molecules emulating the self-similar features of a Sierpinski triangle.","Organic & biomolecular chemistry","2019","17","24","6032","6037","10.1039/c9ob00958b","","","0.71073","MoKα","","0.0577","0.0438","","","0.1037","0.114","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156886","36.646","0.002","36.646","0.002","17.5414","0.0013","90","","90","","120","","20401","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H40 Cl2 N4 O4 -","- C48 H40 Cl2 N4 O4 -","- C864 H720 Cl36 N72 O72 -","18","1","","Halder, Nyancy; Sangeetha, Mohandas; Usharani, Dandamudi; Rath, Harapriya","meso-Aryl substituted stable unorthodox 5,10-porphodimethenes with α,β and β,β-N-methyl pyrrole connectivities: synthesis and spectroscopic, solid state and theoretical characterization.","Organic & biomolecular chemistry","2019","17","25","6131","6135","10.1039/c9ob01062a","","","0.71073","MoKα","","0.1589","0.1119","","","0.2936","0.3293","","","","","","1.151","","","","has coordinates","225177","2020-10-21","18:00:00",""
"7156887","9.122","0.003","13.972","0.004","14.797","0.004","103.575","0.008","94.231","0.011","107.933","0.007","1722.3","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 Cl N4 -","- C46 H34 Cl N4 -","- C92 H68 Cl2 N8 -","2","1","","Halder, Nyancy; Sangeetha, Mohandas; Usharani, Dandamudi; Rath, Harapriya","meso-Aryl substituted stable unorthodox 5,10-porphodimethenes with α,β and β,β-N-methyl pyrrole connectivities: synthesis and spectroscopic, solid state and theoretical characterization.","Organic & biomolecular chemistry","2019","17","25","6131","6135","10.1039/c9ob01062a","","","0.71073","MoKα","","0.1477","0.0712","","","0.17","0.2151","","","","","","1","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156888","5.4441","0.0003","18.1287","0.0008","8.5243","0.0004","90","","95.698","0.003","90","","837.14","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C32 H42 N2 O12 -","2","1","","Kutaszewicz, Rafał; Grzeszczyk, Barbara; Górecki, Marcin; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek","Bypassing the stereoselectivity issue: transformations of Kinugasa adducts from chiral alkynes and non-chiral acyclic nitrones.","Organic & biomolecular chemistry","2019","17","25","6251","6268","10.1039/c9ob00940j","","","1.54178","CuKα","","0.0942","0.0645","","","0.1458","0.1886","","","","","","0.873","","","","has coordinates,has disorder","301861","2025-08-22","11:12:54",""
"7156889","11.6177","0.001","14.1889","0.0012","6.2178","0.0005","90","","91.299","0.002","90","","1024.69","0.15","293","0.2","293","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C52 H36 F4 N8 -","4","1","","Samanta, Surya Kanta; Bera, Mrinal K.","Iodine mediated oxidative cross coupling of 2-aminopyridine and aromatic terminal alkyne: a practical route to imidazo[1,2-a]pyridine derivatives.","Organic & biomolecular chemistry","2019","17","26","6441","6449","10.1039/c9ob00812h","","","0.71073","MoKα","","0.0835","0.0511","","","0.1107","0.1266","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156890","11.4012","0.0008","24.6145","0.0017","21.8613","0.0017","90","","90.414","0.003","90","","6134.9","0.8","100","1","100","1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H15 N O4 S -","- C18 H15 N O4 S -","- C288 H240 N16 O64 S16 -","16","8","","Ghisu, Lorenza; Melis, Nicola; Serusi, Lorenzo; Luridiana, Alberto; Soddu, Francesco; Secci, Francesco; Caboni, Pierluigi; Guillot, Régis; Aitken, David J.; Frongia, Angelo","Synthesis of β-sulfinyl cyclobutane carboxylic amides via a formal α to β sulphoxide migration process.","Organic & biomolecular chemistry","2019","17","25","6143","6147","10.1039/c9ob00758j","","","0.71073","MoKα","","0.1308","0.0885","","","0.1714","0.1932","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156891","7.0433","0.0004","11.562","0.0008","11.6118","0.0008","90","","90.857","0.005","90","","945.5","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 B F2 N O3 -","- C9 H8 B F2 N O3 -","- C36 H32 B4 F8 N4 O12 -","4","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","1.54184","CuKα","","0.1295","0.1201","","","0.3423","0.3485","","","","","","1.567","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156892","13.1705","0.0007","12.9185","0.0004","7.3648","0.0002","90","","97.809","0.003","90","","1241.45","0.08","293","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","RCS-21","","- C11 H12 B F2 N O3 -","- C11 H12 B F2 N O3 -","- C44 H48 B4 F8 N4 O12 -","4","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","","1.54184","CuKα","","0.118","0.0974","","","0.2898","0.3107","","","","","","1.2109","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156893","13.5273","0.0005","7.7581","0.0004","24.7812","0.0015","90","","90","","90","","2600.7","0.2","293","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","NKS_RCS_ALA","","- C12 H14 B F2 N O3 -","- C12 H14 B F2 N O3 -","- C96 H112 B8 F16 N8 O24 -","8","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","1.54184","CuKα","","0.1296","0.0922","","","0.2806","0.3336","","","","","","1.126","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156894","8.8495","0.0002","9.1023","0.0002","9.2653","0.0002","62.94","0.002","89.372","0.002","69.175","0.002","610.93","0.03","293","2","296","","","","","","","","","6","P -1","-P 1","2","","triclinic","","- C13 H11 B F2 N2 O -","- C13 H11 B F2 N2 O -","- C26 H22 B2 F4 N4 O2 -","2","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","","1.54184","CuKα","","0.0423","0.039","","","0.1006","0.1034","","","","","","1.1434","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156895","7.0792","0.0004","7.4313","0.0004","26.3653","0.0014","90","","96.772","0.005","90","","1377.34","0.13","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","RCS-48","","- C16 H11 B F2 N2 O -","- C16 H11 B F2 N2 O -","- C64 H44 B4 F8 N8 O4 -","4","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","0.71073","MoKα","","0.0443","0.0391","","","0.175","0.1867","","","","","","0.842","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156896","8.1582","0.0002","9.4094","0.0002","9.4305","0.0002","98.033","0.001","94.918","0.002","94.971","0.001","710.6","0.03","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H32 B2 F4 N2 O6 -","- C26 H32 B2 F4 N2 O6 -","- C26 H32 B2 F4 N2 O6 -","1","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","1.54184","CuKα","","0.0622","0.0604","","","0.1778","0.1813","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156897","17.467","0.004","9.736","0.002","14.482","0.003","90","","90","","90","","2462.8","0.9","125","2","125","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C108 H156 B4 N8 -","4","1","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.0681","0.044","","","0.0817","0.0914","","","","","","1.029","","","","has coordinates,has disorder","301861","2025-08-22","11:12:54",""
"7156898","6.2971","0.0015","10.739","0.003","18.714","0.005","92.24","0.003","91.774","0.003","94.792","0.003","1259.4","0.6","125","2","125","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H38 B Cl N2 -","- C27 H38 B Cl N2 -","- C54 H76 B2 Cl2 N4 -","2","2","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.1083","0.0643","","","0.119","0.1392","","","","","","0.993","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156899","17.3954","0.0017","9.9115","0.001","14.4462","0.0014","90","","90","","90","","2490.7","0.4","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H38 B F N2 -","- C27 H38 B F N2 -","- C108 H152 B4 F4 N8 -","4","1","","Huchenski, Blake S. N.; Christopherson, Cheyenne J.; Robertson, Katherine N.; Speed, Alexander W. H.","Bis-aminocyclopropenylidene carbene borane catalyzed imine hydrogenation.","Organic & biomolecular chemistry","2019","17","25","6158","6164","10.1039/c9ob01053j","","","0.71073","MoKα","","0.0354","0.0324","","","0.0835","0.0857","","","","","","1.041","","","","has coordinates,has disorder","301861","2025-08-22","11:12:54",""
"7156900","15.9582","0.0005","9.1314","0.0003","10.7679","0.0003","90","","91.0981","0.0011","90","","1568.82","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","","Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.","How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.","Organic & biomolecular chemistry","2019","17","25","6293","6304","10.1039/c9ob00750d","","","0.71073","MoKα","","0.0677","0.038","","","0.076","0.0847","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:54",""
"7156901","19.185","0.002","5.7454","0.0007","29.323","0.003","90","","90","","90","","3232.1","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C152 H152 Br8 O16 -","8","2","","Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.","How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.","Organic & biomolecular chemistry","2019","17","25","6293","6304","10.1039/c9ob00750d","","","0.71073","MoKα","","0.096","0.0645","","","0.148","0.1637","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156902","9.6819","0.001","9.8937","0.001","25.25","0.003","90","","97.704","0.003","90","","2396.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C114 H114 Br6 O12 -","6","3","","Csókás, Dániel; Ho, Annabel Xuan Ying; Ramabhadran, Raghunath O.; Bates, Roderick W.","How an early or late transition state impacts the stereoselectivity of tetrahydropyran formation by intramolecular oxa-Michael addition.","Organic & biomolecular chemistry","2019","17","25","6293","6304","10.1039/c9ob00750d","","","0.71073","MoKα","","0.1161","0.0635","","","0.1258","0.1496","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156903","8.6931","0.00018","24.9324","0.0006","9.8261","0.0002","90","","90.438","0.002","90","","2129.65","0.08","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O3 -","- C25 H27 N3 O3 -","- C100 H108 N12 O12 -","4","1","","He, Yi; Wu, Danjun; Li, Zhenghua; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Erik V.","Facile construction of diverse polyheterocyclic scaffolds via gold-catalysed dearomative spirocyclization/1,6-addition cascade.","Organic & biomolecular chemistry","2019","17","25","6284","6292","10.1039/c9ob01299k","","x-ray","0.71073","MoKα","","0.0419","0.0396","","","0.097","0.0986","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156904","9.2977","0.0008","9.9446","0.0011","13.8192","0.0011","83.641","0.008","73.868","0.007","74.132","0.009","1179.8","0.2","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N3 O3 -","- C28 H33 N3 O3 -","- C56 H66 N6 O6 -","2","1","","He, Yi; Wu, Danjun; Li, Zhenghua; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Erik V.","Facile construction of diverse polyheterocyclic scaffolds via gold-catalysed dearomative spirocyclization/1,6-addition cascade.","Organic & biomolecular chemistry","2019","17","25","6284","6292","10.1039/c9ob01299k","","x-ray","0.71073","MoKα","","0.0401","0.038","","","0.0927","0.0943","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156905","8.9636","0.0003","10.3969","0.0004","13.4271","0.0005","90","","94.862","0.001","90","","1246.82","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Le, Thi Thu Huong; Youhei, Chitose; Le, Quy Hien; Nguyen, Thanh Binh; Mac, Dinh Hung","Convenient one-pot access to 2H-3-nitrothiochromenes from 2-bromobenzaldehydes, sodium sulfide and β-nitrostyrenes.","Organic & biomolecular chemistry","2019","17","26","6355","6358","10.1039/c9ob01060b","","","0.71073","MoKα","","0.0344","0.0296","","","0.0721","0.0747","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156906","10.2529","0.0002","11.3156","0.0003","39.0323","0.0009","90","","90","","90","","4528.44","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 N O11 S -","- C37 H47 N O11 S -","- C148 H188 N4 O44 S4 -","4","1","","Wang, Kaiye; Xiang, Yanan; Shi, Zhujun; Wang, Hongyu; Li, Na; Tang, Bo","Asymmetric kinetic resolution of sulfides for the construction of unsymmetric sulfides and chiral 3,3-disubstituted oxindoles.","Organic & biomolecular chemistry","2019","17","26","6351","6354","10.1039/c9ob01065c","","","1.54184","CuKα","","0.0726","0.0664","","","0.174","0.1793","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156907","8.2594","0.0011","24.311","0.002","20.696","0.002","90","","97.933","0.005","90","","4115.9","0.8","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 B Cl3 F5 N -","- C49 H36 B Cl3 F5 N -","- C196 H144 B4 Cl12 F20 N4 -","4","1","","Dong, Lei; Saraci, Felix; Yuan, Kang; Wang, Xiang; Wang, Suning","Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with a triarylboron moiety.","Organic & biomolecular chemistry","2019","17","26","6470","6477","10.1039/c9ob00923j","","","0.71073","MoKα","","0.1391","0.0675","","","0.1587","0.203","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156908","8.5885","0.0006","14.6907","0.0012","16.3399","0.0013","93.829","0.003","94.403","0.003","98.387","0.003","2027.2","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 B Cl3 F3 N2 -","- C49 H39 B Cl3 F3 N2 -","- C98 H78 B2 Cl6 F6 N4 -","2","1","","Dong, Lei; Saraci, Felix; Yuan, Kang; Wang, Xiang; Wang, Suning","Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with a triarylboron moiety.","Organic & biomolecular chemistry","2019","17","26","6470","6477","10.1039/c9ob00923j","","","0.71073","MoKα","","0.2054","0.0806","","","0.1959","0.2983","","","","","","1.051","","","","has coordinates,has disorder","301861","2025-08-22","11:12:55",""
"7156909","8.0766","0.0008","9.1009","0.0009","33.009","0.004","90","","90","","90","","2426.3","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O5 S -","- C27 H25 N O5 S -","- C108 H100 N4 O20 S4 -","4","1","","Zhao, Zi-Biao; Shi, Lei; Li, Yaming; Meng, Fan-Jie; Zhou, Yong-Gui","Facile synthesis of chiral ε-sultams via an organocatalytic aza-Friedel-Crafts reaction.","Organic & biomolecular chemistry","2019","17","26","6364","6368","10.1039/c9ob01158g","","","0.71073","MoKα","","0.0951","0.0503","","","0.0996","0.1215","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156910","7.2163","0.0002","12.4415","0.0002","17.8306","0.0004","90","","96.925","0.001","90","","1589.18","0.06","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O7 S -","- C15 H17 N O7 S -","- C60 H68 N4 O28 S4 -","4","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0569","0.0516","","","0.121","0.1231","","","","","","1.204","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156911","7.8544","0.0003","14.026","0.0006","9.9668","0.0004","90","","110.854","0.002","90","","1026.07","0.07","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0486","0.0405","","","0.0893","0.0937","","","","","","1.115","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156912","7.6784","0.0005","7.8448","0.0005","9.1114","0.0006","91.933","0.004","101.72","0.002","105.491","0.004","515.61","0.06","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0782","0.0586","","","0.1278","0.1377","","","","","","1.128","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156913","7.7698","0.0004","9.8328","0.0006","11.4487","0.0007","68.144","0.003","73.035","0.003","76.069","0.003","767.82","0.08","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O6 S -","- C15 H15 N O6 S -","- C30 H30 N2 O12 S2 -","2","1","","Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias","Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.","Organic & biomolecular chemistry","2019","17","26","6489","6496","10.1039/c9ob01117j","","","0.71073","MoKα","","0.0485","0.0407","","","0.0919","0.0985","","","","","","1.109","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156914","10.0026","0.0006","25.7449","0.0014","7.0051","0.0004","90","","103.519","0.002","90","","1753.94","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 O -","- C20 H22 F2 O -","- C80 H88 F8 O4 -","4","1","","Peng, Peng; Huang, Guo-Zhi; Sun, Ying-Xin; Wang, Xing; Wu, Jing-Jing; Wu, Fan-Hong","Copper-mediated cascade radical cyclization of olefins with naphthalenyl iododifluoromethyl ketones.","Organic & biomolecular chemistry","2019","17","26","6426","6431","10.1039/c9ob00916g","","","0.71073","MoKα","","0.1057","0.0747","","","0.2071","0.238","","","","","","1.033","","","","has coordinates,has disorder","301861","2025-08-22","11:12:55",""
"7156915","9.5734","0.0004","15.0468","0.0007","19.4977","0.0009","90","","92.992","0.003","90","","2804.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 F3 O4 P S -","- C31 H24 F3 O4 P S -","- C124 H96 F12 O16 P4 S4 -","4","1","","Neog, Kashmiri; Dutta, Dhiraj; Das, Babulal; Gogoi, Pranjal","Aryne insertion into the P[double bond, length as m-dash]O bond: one-pot synthesis of quaternary phosphonium triflates.","Organic & biomolecular chemistry","2019","17","26","6450","6460","10.1039/c9ob01157a","","","0.71073","MoKα","","0.11","0.0725","","","0.1785","0.2035","","","","","","0.982","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156916","9.1516","0.0002","5.26734","0.00013","17.986","0.0004","90","","94.683","0.002","90","","864.11","0.03","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C42 H42 N6 O2 -","2","1","","Peng, Fei; Tian, Hua; Zhang, Pengxiang; Yang, Haijun; Fu, Hua","Iridium-catalyzed intramolecular enantioselective allylation of quinazolin-4(3H)-one derivatives.","Organic & biomolecular chemistry","2019","17","26","6461","6464","10.1039/c9ob01057b","","x-ray","1.54184","CuKα","","0.0395","0.0363","","","0.0911","0.0936","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156917","16.207","0.011","7.147","0.005","18.155","0.012","90","","109.83","0.03","90","","1978","2","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O3 -","- C25 H22 O3 -","- C100 H88 O12 -","4","1","","Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan","Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.","Organic & biomolecular chemistry","2019","17","27","6620","6628","10.1039/c9ob00732f","","","0.71073","MoKα","","0.0812","0.0615","","","0.1583","0.176","","","","","","1.119","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156918","11.9937","0.0005","11.8843","0.0004","30.2028","0.0011","90","","90","","90","","4305","0.3","223","0.1","223","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C208 H192 O32 -","8","1","","Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan","Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.","Organic & biomolecular chemistry","2019","17","27","6620","6628","10.1039/c9ob00732f","","","1.5418","CuKα","","0.0945","0.0611","","","0.1699","0.199","","","","","","1.108","","","","has coordinates,has disorder","301861","2025-08-22","11:12:55",""
"7156919","7.8923","0.0012","10.3082","0.0014","14.777","0.002","102.912","0.004","98.48","0.004","104.031","0.004","1110.7","0.3","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C58 H48 O6 -","2","1","","Sun, Wenxi; Peng, Cheng; Yao, Zhigang; Xu, Fan","Diastereoselective synthesis of α-dicarbonyl cyclopropanes via a lanthanide amide-catalysed reaction.","Organic & biomolecular chemistry","2019","17","27","6620","6628","10.1039/c9ob00732f","","","0.71073","MoKα","","0.0993","0.067","","","0.1659","0.1852","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156920","9.7186","0.0003","11.7583","0.0004","20.8375","0.0006","90","","96.0696","0.001","90","","2367.84","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-amino-5-isobutyl-1H-imidazole-4-carboxylate","","- C10 H17 N3 O2 -","- C10 H17 N3 O2 -","- C80 H136 N24 O16 -","8","2","","Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.","Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.","Organic & biomolecular chemistry","2019","17","27","6566","6569","10.1039/c9ob01100e","","","1.54178","CuKα","","0.0421","0.0396","","","0.1123","0.1153","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156921","11.6022","0.0007","22.9041","0.0013","9.5733","0.0005","90","","90","","90","","2544","0.2","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Ethyl 2-amino-5-neopentyl-1H-imidazole-4-carboxylate","","- C11 H19 N3 O2 -","- C11 H19 N3 O2 -","- C88 H152 N24 O16 -","8","1","","Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.","Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.","Organic & biomolecular chemistry","2019","17","27","6566","6569","10.1039/c9ob01100e","","","1.54178","CuKα","","0.0697","0.069","","","0.1892","0.1896","","","","","","1.151","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156922","10.9129","0.0011","13.7709","0.0013","18.7714","0.0018","90","","102.244","0.001","90","","2756.8","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 N O5 S -","- C29 H33 N O5 S -","- C116 H132 N4 O20 S4 -","4","1","","Cheng, Yu-Chun; Wang, Cong-Shuai; Li, Tian-Zhen; Gao, Feng; Jiao, Yinchun; Shi, Feng","Organocatalytic [4 + 2] cyclizations of para-quinone methide derivatives with isocyanates.","Organic & biomolecular chemistry","2019","17","27","6662","6670","10.1039/c9ob00918c","","","0.71073","MoKα","","0.091","0.0626","","","0.1737","0.1973","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156923","11.7435","0.0014","7.1127","0.0009","15.6205","0.0015","90","","95.141","0.009","90","","1299.5","0.3","294.15","","294.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Wu, Lingang; Hao, Yanan; Liu, Yuxiu; Wang, Qingmin","NIS-mediated oxidative arene C(sp<sup>2</sup>)-H amidation toward 3,4-dihydro-2(1H)-quinolinone, phenanthridone, and N-fused spirolactam derivatives.","Organic & biomolecular chemistry","2019","17","28","6762","6770","10.1039/c9ob01277j","","x-ray","0.71073","MoKα","","0.1112","0.0514","","","0.1214","0.1472","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156924","11.507","0.004","4.843","0.0018","17.18","0.006","90","","100.591","0.009","90","","941.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br N O3 -","- C9 H8 Br N O3 -","- C36 H32 Br4 N4 O12 -","4","1","","Jaiswal, Yogesh; Kumar, Yogesh; Kumar, Amit","The palladium(ii)-catalyzed regioselective ortho-C-H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration.","Organic & biomolecular chemistry","2019","17","28","6809","6820","10.1039/c9ob01082c","","","0.71073","MoKα","","0.102","0.0485","","","0.0749","0.0894","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156925","14.336","0.007","4.975","0.002","16.193","0.008","90","","106.346","0.013","90","","1108.2","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 I N O -","- C12 H10 I N O -","- C48 H40 I4 N4 O4 -","4","1","","Jaiswal, Yogesh; Kumar, Yogesh; Kumar, Amit","The palladium(ii)-catalyzed regioselective ortho-C-H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration.","Organic & biomolecular chemistry","2019","17","28","6809","6820","10.1039/c9ob01082c","","","0.71073","MoKα","","0.1149","0.0533","","","0.1006","0.1204","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156926","9.925","0.004","13.094","0.005","16.855","0.006","90","","105.017","0.012","90","","2115.6","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N3 O2 -","- C25 H18 Br N3 O2 -","- C100 H72 Br4 N12 O8 -","4","1","","Balha, Megha; Mondal, Buddhadeb; Pan, Subhas Chandra","Organocatalytic asymmetric synthesis of dihydrofuran-spirooxindoles from benzylidene malononitriles and dioxindoles.","Organic & biomolecular chemistry","2019","17","27","6557","6561","10.1039/c9ob01199d","","","0.71073","MoKα","","0.0637","0.0391","","","0.1219","0.1437","","","","","","0.962","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156927","7.6371","0.0004","14.5261","0.0008","16.1757","0.0008","90","","90","","90","","1794.49","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Pilicer, Samantha L.; Mancinelli, Michele; Mazzanti, Andrea; Wolf, Christian","Predictive chirality sensing via Schiff base formation.","Organic & biomolecular chemistry","2019","17","27","6699","6705","10.1039/c9ob01265f","","","1.54178","CuKα","","0.0997","0.0553","","","0.1184","0.1383","","","","","","0.973","","","","has coordinates,has disorder","301861","2025-08-22","11:12:55",""
"7156928","6.691","0.002","7.895","0.003","15.59","0.006","85.482","0.015","85.127","0.014","68.851","0.013","764.3","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Salam, Abdus; Ray, Sayan; Zaid, Md Abu; Kumar, Dileep; Khan, Tabrez","Total syntheses of several iridolactones and the putative structure of noriridoid scholarein A: an intramolecular Pauson-Khand reaction based one-stop synthetic solution.","Organic & biomolecular chemistry","2019","17","28","6831","6842","10.1039/c9ob00855a","","","0.71073","MoKα","","0.0838","0.0581","","","0.1493","0.1722","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156929","10.6941","0.0001","16.3625","0.0002","18.2683","0.0002","90","","90","","90","","3196.63","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35.51 N5 O7 S -","- C34 H35.5 N5 O7 S -","- C136 H142 N20 O28 S4 -","4","1","","Chen, Shuang; Wang, Guan-Lian; Xu, Sheng-Wen; Tian, Min-Yi; Zhang, Min; Liu, Xiong-Li; Yuan, Wei-Cheng","Regio- and stereoselective [3 + 2] cycloaddition reaction: access to isoxazole-dispirobisoxindoles featuring three contiguous stereocenters.","Organic & biomolecular chemistry","2019","17","27","6551","6556","10.1039/c9ob01203f","","x-ray","1.54184","CuKα","","0.039","0.0383","","","0.1012","0.102","","","","","","1.042","","","","has coordinates,has disorder","225067","2020-10-21","18:00:00",""
"7156930","11.1703","0.0002","15.8824","0.0003","18.1124","0.0003","90","","90","","90","","3213.34","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N5 O7 S -","- C33 H33 N5 O7 S -","- C132 H132 N20 O28 S4 -","4","1","","Chen, Shuang; Wang, Guan-Lian; Xu, Sheng-Wen; Tian, Min-Yi; Zhang, Min; Liu, Xiong-Li; Yuan, Wei-Cheng","Regio- and stereoselective [3 + 2] cycloaddition reaction: access to isoxazole-dispirobisoxindoles featuring three contiguous stereocenters.","Organic & biomolecular chemistry","2019","17","27","6551","6556","10.1039/c9ob01203f","","x-ray","1.54184","CuKα","","0.0386","0.0376","","","0.0971","0.098","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156931","11.2685","0.0006","18.6581","0.0007","12.8795","0.0008","90","","111.426","0.007","90","","2520.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Br N O9 -","- C26 H22 Br N O9 -","- C104 H88 Br4 N4 O36 -","4","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","","0.71073","MoKα","","0.0592","0.0388","","","0.0764","0.0845","","","","","","1.03","","","","has coordinates","225028","2020-10-21","18:00:00",""
"7156932","9.6963","0.0003","12.8666","0.0003","18.3433","0.0006","90","","100.842","0.003","90","","2247.63","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Br N O10 -","- C22 H20 Br N O10 -","- C88 H80 Br4 N4 O40 -","4","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","","0.71073","MoKα","","0.0509","0.038","","","0.0743","0.079","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156933","17.9781","0.0002","10.33117","0.00014","27.7978","0.0004","90","","93.5433","0.0012","90","","5153.15","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Br N2 O11 -","- C26 H21 Br N2 O11 -","- C208 H168 Br8 N16 O88 -","8","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","x-ray","1.54184","CuKα","","0.0356","0.0346","","","0.0979","0.0988","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156934","11.6608","0.0001","15.2184","0.0001","13.2038","0.0001","90","","91.133","0.001","90","","2342.67","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Br N O9 -","- C23 H22 Br N O9 -","- C92 H88 Br4 N4 O36 -","4","1","","Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S.","[2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles.","Organic & biomolecular chemistry","2019","17","28","6821","6830","10.1039/c9ob01301f","","x-ray","1.54184","CuKα","","0.0402","0.0398","","","0.1143","0.1147","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156935","8.2994","0.0007","23.795","0.002","18.3273","0.0012","90","","93.367","0.003","90","","3613.1","0.5","298","0.1","298","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Br4 Cu F6 N4 P -","- C32 H28 Br4 Cu F6 N4 P -","- C128 H112 Br16 Cu4 F24 N16 P4 -","4","1","","Földesi, Tamás; Sipos, Gellért; Adamik, Réka; Nagy, Bálint; Tóth, Balázs L; Bényei, Attila; Szekeres, Krisztina J.; Láng, Győző G; Demeter, Attila; Peelen, Timothy J.; Novák, Zoltán","Design and application of diimine-based copper(i) complexes in photoredox catalysis.","Organic & biomolecular chemistry","2019","17","36","8343","8347","10.1039/c9ob01331h","","","0.71073","MoKα","","0.1364","0.0872","","","0.1667","0.1897","","","","","","1.183","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156936","17.6634","0.0005","8.6515","0.0002","9.4505","0.0003","90","","100.296","0.003","90","","1420.92","0.07","180","0.14","180","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","- C60 H76 N4 O16 -","2","0.5","","Homberg, Alexandre; Hrdina, Radim; Vishe, Mahesh; Guénée, Laure; Lacour, Jérôme","Stereoselective deconjugation of macrocyclic α,β-unsaturated esters by sequential amidation and olefin transposition: application to enantioselective phase-transfer catalysis.","Organic & biomolecular chemistry","2019","17","28","6905","6910","10.1039/c9ob01355e","","","1.54184","CuKα","","0.0367","0.0334","","","0.0871","0.0907","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156937","18.8583","0.0007","19.3929","0.0005","19.5642","0.0007","90","","90","","90","","7155","0.4","180","2","180.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H58 B F24 N2 Na O8 -","- C72 H58 B F24 N2 Na O8 -","- C288 H232 B4 F96 N8 Na4 O32 -","4","1","","Homberg, Alexandre; Hrdina, Radim; Vishe, Mahesh; Guénée, Laure; Lacour, Jérôme","Stereoselective deconjugation of macrocyclic α,β-unsaturated esters by sequential amidation and olefin transposition: application to enantioselective phase-transfer catalysis.","Organic & biomolecular chemistry","2019","17","28","6905","6910","10.1039/c9ob01355e","","x-ray","1.54184","CuKα","","0.0993","0.0823","","","0.2183","0.2426","","","","","","1.051","","","","has coordinates,has disorder","225025","2020-10-21","18:00:00",""
"7156938","17.7333","0.0003","20.112","0.0003","18.2281","0.0003","90","","93.8737","0.0013","90","","6486.24","0.18","180.05","0.1","180.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 B F24 N2 Na O8 -","- C62 H50 B F24 N2 Na O8 -","- C248 H200 B4 F96 N8 Na4 O32 -","4","1","","Homberg, Alexandre; Hrdina, Radim; Vishe, Mahesh; Guénée, Laure; Lacour, Jérôme","Stereoselective deconjugation of macrocyclic α,β-unsaturated esters by sequential amidation and olefin transposition: application to enantioselective phase-transfer catalysis.","Organic & biomolecular chemistry","2019","17","28","6905","6910","10.1039/c9ob01355e","","x-ray","1.54184","CuKα","","0.082","0.0747","","","0.207","0.2163","","","","","","1.053","","","","has coordinates,has disorder","225025","2020-10-21","18:00:00",""
"7156939","5.6807","0.0005","11.3724","0.0009","11.9319","0.0009","90","","98.979","0.008","90","","761.39","0.11","190","2","190","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl O2 -","- C9 H7 Cl O2 -","- C36 H28 Cl4 O8 -","4","1","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","0.71073","MoKα","","0.054","0.0407","","","0.0947","0.1063","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156940","9.7132","0.0003","14.1931","0.0005","14.3361","0.0005","90","","90","","90","","1976.38","0.12","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","1.54184","CuKα","","0.0415","0.0391","","","0.0962","0.0983","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156941","14.926","0.001","6.8613","0.0004","17.143","0.001","90","","111.037","0.008","90","","1638.6","0.2","190","2","190","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Cl F3 N2 O3 -","- C17 H12 Cl F3 N2 O3 -","- C68 H48 Cl4 F12 N8 O12 -","4","1","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","0.71073","MoKα","","0.0831","0.0626","","","0.1639","0.1823","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156942","16.3369","0.0014","9.5786","0.0008","16.6878","0.0013","90","","98.9","0.009","90","","2579.9","0.4","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C112 H112 N32 O24 -","8","2","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","0.71073","MoKα","","0.1021","0.0594","","","0.1015","0.1178","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156943","11.499","0.0008","8.466","0.0006","31.3","0.002","90","","90","","90","","3047.1","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N2 O2 S2 -","- C15 H14 N2 O2 S2 -","- C120 H112 N16 O16 S16 -","8","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.0381","0.0338","","","0.0893","0.0919","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156944","18.7734","0.0009","12.5873","0.0005","8.6595","0.0004","90","","95.548","0.002","90","","2036.71","0.16","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F3 N2 O2 S2 -","- C21 H15 F3 N2 O2 S2 -","- C84 H60 F12 N8 O8 S8 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.0572","0.0439","","","0.1115","0.1194","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156945","14.5408","0.0007","10.038","0.0005","14.7642","0.0007","90","","112.918","0.002","90","","1984.88","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F3 N2 O2 S2 -","- C19 H19 F3 N2 O2 S2 -","- C76 H76 F12 N8 O8 S8 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.04","0.0364","","","0.1005","0.1046","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156946","7.507","0.004","16.207","0.01","29.663","0.019","90","","90","","90","","3609","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O3 S2 -","- C19 H16 N2 O3 S2 -","- C152 H128 N16 O24 S16 -","8","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.1239","0.0722","","","0.1853","0.227","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156947","12.557","0.002","18.579","0.002","13.015","0.002","90","","104.3","0.019","90","","2942.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F2 N4 O6 S2 -","- C30 H26 F2 N4 O6 S2 -","- C120 H104 F8 N16 O24 S8 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","1.54184","CuKα","","0.2423","0.1065","","","0.2442","0.3647","","","","","","0.955","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156948","14.23986","0.0002","7.86116","0.00008","19.8448","0.0003","90","","98.1269","0.0012","90","","2199.15","0.05","160","2","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H37 Br2 N3 O11 -","- C42 H37 Br2 N3 O11 -","- C84 H74 Br4 N6 O22 -","2","1","","Wang, Ying; Ren, Jinwei; Li, Honghua; Pan, Yuanyuan; Liu, Xingzhong; Che, Yongsheng; Liu, Gang","The disruption of verM activates the production of gliocladiosin A and B in Clonostachys rogersoniana.","Organic & biomolecular chemistry","2019","17","28","6782","6785","10.1039/c9ob01102a","","","1.54184","CuKα","","0.0686","0.0662","","","0.1938","0.1988","","","","","","1.071","","","","has coordinates,has disorder","225030","2020-10-21","18:00:00",""
"7156949","6.2739","0.0008","20.464","0.003","23.723","0.003","90","","90","","90","","3045.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,3,4,4,5,5-hexafluoro-1,2-bis[2,3,5,6-tetrafluoro-4-(2-(4-methoxyphenyl)ethyn-1-yl)phenyl]cyclopentene","","- C35 H14 F14 O2 -","- C35 H14 F14 O2 -","- C140 H56 F56 O8 -","4","1","","Yamada, Shigeyuki; Nishizawa, Akito; Morita, Masato; Hosokai, Takuya; Okabayashi, Yusuke; Agou, Tomohiro; Hosoya, Takaaki; Kubota, Toshio; Konno, Tsutomu","Synthesis and characterization of bent fluorine-containing donor-π-acceptor molecules as intense luminophores with large Stokes shifts.","Organic & biomolecular chemistry","2019","17","28","6911","6919","10.1039/c9ob01300h","","","0.71073","MoKα","","0.2005","0.0816","","","0.1748","0.2656","","","","","","0.983","","","","has coordinates,has disorder","301861","2025-08-22","11:12:55",""
"7156950","7.6458","0.0004","7.7616","0.0003","31.5448","0.001","86.116","0.003","83.893","0.003","66.44","0.004","1705.55","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3,4,4,5,5-hexafluoro-1,2-bis[2,3,5,6-tetrafluoro-4-(2-(4-n-propoxyphenyl)ethyn-1-yl)phenyl]cyclopentene","","- C39 H22 F14 O2 -","- C39 H22 F14 O2 -","- C78 H44 F28 O4 -","2","1","","Yamada, Shigeyuki; Nishizawa, Akito; Morita, Masato; Hosokai, Takuya; Okabayashi, Yusuke; Agou, Tomohiro; Hosoya, Takaaki; Kubota, Toshio; Konno, Tsutomu","Synthesis and characterization of bent fluorine-containing donor-π-acceptor molecules as intense luminophores with large Stokes shifts.","Organic & biomolecular chemistry","2019","17","28","6911","6919","10.1039/c9ob01300h","","","0.71073","MoKα","","0.0681","0.0462","","","0.1108","0.126","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156951","12.417","0.003","6.0979","0.0012","25.184","0.005","90","","101.93","0.03","90","","1865.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.17 H3.83 N0.17 O0.83 S0.17 -","- C3.16667 H3.83333 N0.166667 O0.833333 S0.166667 -","- C76 H92 N4 O20 S4 -","24","6","","Huang, Junmin; Hu, Xinwei; Chen, Fengjuan; Gui, Jiao; Zeng, Wei","Rhodium(i)-catalyzed vinylation/[2 + 1] carbocyclization of 1,6-enynes with α-diazocarbonyl compounds.","Organic & biomolecular chemistry","2019","17","29","7042","7054","10.1039/c9ob01028a","","","0.71073","MoKα","","0.035","0.033","","","0.0877","0.0895","","","","","","1.017","","","","has coordinates","225017","2020-10-21","18:00:00",""
"7156952","23.7456","0.0011","29.0274","0.0009","27.4514","0.0014","90","","101.549","0.004","90","","18538.4","1.4","119.97","0.11","119.97","0.11","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C122 H158 Cl6 N12 O24 -","- C122 H158 Cl6 N12 O24 -","- C488 H632 Cl24 N48 O96 -","4","1","","Kiesilä, Anniina; Beyeh, Ngong Kodiah; Moilanen, Jani O.; Puttreddy, Rakesh; Götz, Sven; Rissanen, Kari; Barran, Perdita; Lützen, Arne; Kalenius, Elina","Thermodynamically driven self-assembly of pyridinearene to hexameric capsules.","Organic & biomolecular chemistry","2019","17","29","6980","6984","10.1039/c9ob01383k","","x-ray","1.54178","CuKα","","0.2432","0.2056","","","0.4494","0.5139","","","","","","1.789","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156953","7.3603","0.0001","16.089","0.0002","16.5566","0.0002","90","","92.3726","0.0008","90","","1958.95","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","2","","Ryder, Greg M.; Wille, Uta; Willis, Anthony C.; Pyne, Stephen G.","1,2-Addition versus homoconjugate addition reactions of indoles and electron-rich arenes to α-cyclopropyl N-acyliminium ions: synthetic and computational studies.","Organic & biomolecular chemistry","2019","17","29","7025","7035","10.1039/c9ob01363f","","","1.54184","CuKα","","0.0324","0.0316","","0.082","0.0811","0.082","","","","","","1.0042","","","","has coordinates","225020","2020-10-21","18:00:00",""
"7156954","8.996","0.009","13.612","0.014","20.05","0.02","87.116","0.015","82.877","0.016","77.657","0.015","2379","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H62 N8 O7 S -","- C48 H62 N8 O7 S -","- C96 H124 N16 O14 S2 -","2","1","","Isoda, Kyosuke; Matsuzaka, Mitsuru; Sugaya, Tomoaki; Yasuda, Takeshi; Tadokoro, Makoto","Synthesis and electrochromic behavior of a multi-electron redox-active N-heteroheptacenequinone.","Organic & biomolecular chemistry","2019","17","34","7884","7890","10.1039/c9ob01323g","","","0.71073","MoKα","","0.2268","0.0892","","","0.2121","0.2828","","","","","","0.853","","","","has coordinates,has disorder","301861","2025-08-22","11:12:55",""
"7156955","11.5057","0.0016","9.9709","0.0014","13.652","0.002","90","","105.1","0.004","90","","1512.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O4 S3 -","- C13 H10 N2 O4 S3 -","- C52 H40 N8 O16 S12 -","4","1","","Li, Chengqiu; Long, Pingliang; Wu, Haopeng; Yin, Hongquan; Chen, Fu-Xue","N-Thiocyanato-dibenzenesulfonimide: a new electrophilic thiocyanating reagent with enhanced reactivity.","Organic & biomolecular chemistry","2019","17","30","7131","7134","10.1039/c9ob01340g","","","0.71073","MoKα","","0.0258","0.0243","","","0.0651","0.0664","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156956","19.1784","0.001","5.9217","0.0003","15.119","0.0009","90","","92.959","0.005","90","","1714.76","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","","Miao, Jiankang; Sang, Xiaoyan; Wang, Yi; Deng, Shufeng; Hao, Wenyan","Synthesis of thiazolo[2,3-b]quinazoline derivatives via base-promoted cascade bicyclization of o-alkenylphenyl isothiocyanates with propargylamines.","Organic & biomolecular chemistry","2019","17","29","6994","6997","10.1039/c9ob01098j","","x-ray","0.71073","MoKα","","0.0598","0.047","","","0.106","0.1125","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156957","6.3411","0.0018","7.109","0.002","16.557","0.005","93.165","0.009","92.574","0.009","92.317","0.01","743.8","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 O -","- C18 H13 Cl N2 O -","- C36 H26 Cl2 N4 O2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.0709","0.0463","","","0.112","0.1297","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156958","4.73","0.01","10.2","0.02","16.8","0.02","77","0.1","86","0.1","77.3","0.1","770","2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Br N2 O S -","- C16 H11 Br N2 O S -","- C32 H22 Br2 N4 O2 S2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.1723","0.0803","","","0.2162","0.2648","","","","","","1.048","","","","has coordinates","225230","2020-10-21","18:00:00",""
"7156959","6.192","0.005","7.311","0.002","16.718","0.003","87.67","0.02","85.16","0.03","86.34","0.02","752.1","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C36 H26 Br2 N4 O2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.077","0.0623","","","0.1719","0.1831","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156960","8.722","0.005","9.677","0.006","11.637","0.008","101.028","0.014","103.348","0.017","112.332","0.011","840.4","0.9","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 Br Cl2 N2 O -","- C18 H11 Br Cl2 N2 O -","- C36 H22 Br2 Cl4 N4 O2 -","2","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.0484","0.0346","","","0.0814","0.0869","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156961","11.542","0.004","12.009","0.004","14.738","0.005","100.009","0.011","105.015","0.01","117.02","0.01","1653.8","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","2","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.1601","0.1032","","","0.293","0.3322","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156962","11.5956","0.0017","5.0269","0.0007","33","0.005","90","","92.159","0.004","90","","1922.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C76 H60 Br4 N8 O4 -","4","1","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.123","0.054","","","0.1289","0.1448","","","","","","0.891","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156963","9.8735","0.001","11.1925","0.0013","16.3751","0.0018","104.559","0.003","102.943","0.003","102.875","0.003","1630.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","2","","Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde","Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.","Organic & biomolecular chemistry","2019","17","31","7342","7351","10.1039/c9ob01308c","","","0.71073","MoKα","","0.1062","0.0658","","","0.1675","0.1904","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156964","5.53","0.002","12.216","0.004","32.227","0.013","90","","90","","90","","2177.1","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","1","","Luo, Jinghua; Chen, Rongshun; Fan, Xia; Gong, Junyu; Han, Jie; He, Zhengjie","Catalytic asymmetric (4 + 1) annulation of nitroalkenes with allylic acetates: stereoselective synthesis of isoxazoline N-oxides.","Organic & biomolecular chemistry","2019","17","29","6989","6993","10.1039/c9ob01058k","","","0.71073","MoKα","","0.0916","0.0585","","","0.106","0.1182","","","","","","1.164","","","","has coordinates","225019","2020-10-21","18:00:00",""
"7156965","6.4813","0.0013","16.177","0.003","21.944","0.004","90","","90","","90","","2300.8","0.8","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-3-((S)-4-((2-Bromophenyl)amino)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-3-fluoro-1-methylindolin-2-one","","- C25 H20 Br F N4 O2 -","- C25 H20 Br F N4 O2 -","- C100 H80 Br4 F4 N16 O8 -","4","1","","Zhang, Qing-Da; Zhao, Bo-Liang; Li, Bing-Yu; Du, Da-Ming","Squaramide-catalyzed asymmetric Mannich reactions between 3-fluorooxindoles and pyrazolinone ketimines.","Organic & biomolecular chemistry","2019","17","30","7182","7191","10.1039/c9ob01350d","","","0.71073","MoKα","","0.0435","0.04","","","0.0857","0.0877","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156966","9.7264","0.0007","13.0927","0.0009","11.7193","0.0008","90","","109.924","0.002","90","","1403.07","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Shirley, Harry J.; Bray, Christopher D.","A biomimetic approach towards phorone sesterterpenoids.","Organic & biomolecular chemistry","2019","17","29","6985","6988","10.1039/c9ob00745h","","","0.71075","MoKα","","0.0582","0.044","","","0.1067","0.115","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156967","12.6454","0.0009","6.3501","0.0004","18.3909","0.0013","90","","106.614","0.003","90","","1415.13","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Shirley, Harry J.; Bray, Christopher D.","A biomimetic approach towards phorone sesterterpenoids.","Organic & biomolecular chemistry","2019","17","29","6985","6988","10.1039/c9ob00745h","","","0.71075","MoKα","","0.1215","0.0673","","","0.1526","0.1809","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156968","9.2333","0.0003","11.1033","0.0004","11.1547","0.0003","100.671","0.002","93.538","0.002","93.953","0.002","1117.89","0.06","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H21 N O6 -","- C25 H21 N O6 -","- C50 H42 N2 O12 -","2","2","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Catalytic enantioselective Michael addition of 2-substituted benzofuran-3-ones to 2-enoyl pyridines.","Organic & biomolecular chemistry","2019","17","30","7166","7171","10.1039/c9ob01069f","","","0.71073","MoKα","","0.0701","0.0387","","","0.0916","0.1099","","","","","","0.982","","","","has coordinates,has disorder","301861","2025-08-22","11:12:55",""
"7156969","14.1242","0.0003","14.398","0.0003","20.2906","0.0006","90","","90","","90","","4126.3","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H42 N6 O11 -","- C46 H42 N6 O11 -","- C184 H168 N24 O44 -","4","1","","Miao, Yu-Hang; Hua, Yuan-Zhao; Wang, Min-Can","Dinuclear zinc cooperative catalytic three-component reactions for highly enantioselective synthesis of 3,3'-dihydrofuran spirooxindoles.","Organic & biomolecular chemistry","2019","17","30","7172","7181","10.1039/c9ob01233h","","x-ray","1.54184","CuKα","","0.0613","0.0522","","","0.1394","0.1481","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156970","7.9383","0.0002","8.9382","0.0002","16.392","0.0005","90","","90","","90","","1163.08","0.05","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 Cl N O4 -","- C10 H19 Cl N O4 -","- C40 H76 Cl4 N4 O16 -","4","1","","Foucart, Quentin; Shimadate, Yuna; Marrot, Jérôme; Kato, Atsushi; Désiré, Jérôme; Blériot, Yves","Synthesis and glycosidase inhibition of conformationally locked DNJ and DMJ derivatives exploiting a 2-oxo-C-allyl iminosugar.","Organic & biomolecular chemistry","2019","17","30","7204","7214","10.1039/c9ob01402k","","","0.71073","MoKα","","0.0244","0.023","","","0.0625","0.0637","","","","","","1.098","","","","has coordinates","225226","2020-10-21","18:00:00",""
"7156971","12.8311","0.0009","7.0802","0.0005","12.066","0.0008","90","","90.396","0.007","90","","1096.13","0.13","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 S -","- C13 H16 S -","- C52 H64 S4 -","4","1","","Luo, Xianglin; Li, Yibiao; Chen, Xiuwen; Song, Zhiyan; Liang, Junyi; Liao, Chunshu; Zhu, Zhongzhi; Chen, Lu","(Z)-Tetrahydrothiophene and (Z)-tetrahydrothiopyran synthesis through nucleophilic substitution and intramolecular cycloaddition of alkynyl halides and EtOCS<sub>2</sub>K.","Organic & biomolecular chemistry","2019","17","31","7315","7319","10.1039/c9ob01370a","","x-ray","0.71073","MoKα","","0.0528","0.0432","","","0.1006","0.1086","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:55",""
"7156972","8.2455","0.0012","11.3533","0.0016","13.652","0.002","90","","90","","90","","1278","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 N2 O2 -","- C17 H12 N2 O2 -","- C68 H48 N8 O8 -","4","1","","Ahire, Milind M.; Pol, Mahesh D.; Kavale, Dattatry S.; Gonnade, Rajesh G.; Mhaske, Santosh B.","Stereoselective construction of deoxy-cruciferane alkaloids by NHC-catalyzed intramolecular annulation of homoenolate with quinazolinone.","Organic & biomolecular chemistry","2019","17","30","7135","7139","10.1039/c9ob01243e","","","1.54178","CuKα","","0.0348","0.0334","","","0.0877","0.0914","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:57",""
"7156973","8.7557","0.0018","14.297","0.003","16.454","0.003","90","","90","","90","","2059.7","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1376","0.0605","","","0.125","0.1513","","","","","","0.883","","","","has coordinates","301861","2025-08-22","11:12:57",""
"7156974","8.1876","0.0016","14.121","0.003","19.915","0.004","90","","90","","90","","2302.5","0.8","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1373","0.0795","","","0.1219","0.1384","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156975","8.5232","0.0017","13.562","0.003","21.283","0.004","90","","90","","90","","2460.1","0.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1896","0.0968","","","0.1485","0.1779","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156976","12.9425","0.0009","15.6165","0.0011","10.6618","0.0007","90","","101.551","0.003","90","","2111.3","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 Cl2 O6 -","- C23 H20 Cl2 O6 -","- C92 H80 Cl8 O24 -","4","0.5","","Han, Wenyong; Yang, Yihui; Zhu, Yingguang; Shi, Yian","A facile copper(i)-catalyzed homo-coupling of indanone derivatives using diaziridinone under mild conditions.","Organic & biomolecular chemistry","2019","17","29","6998","7001","10.1039/c9ob00901a","","","0.71073","MoKα","","0.0493","0.0387","","","0.0956","0.1028","","","","","","1.042","","","","has coordinates","225021","2020-10-21","18:00:00",""
"7156977","8.8734","0.0003","16.0071","0.0005","14.189","0.0005","90","","100.72","0.002","90","","1980.2","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O6 -","- C24 H22 O6 -","- C96 H88 O24 -","4","1","","Han, Wenyong; Yang, Yihui; Zhu, Yingguang; Shi, Yian","A facile copper(i)-catalyzed homo-coupling of indanone derivatives using diaziridinone under mild conditions.","Organic & biomolecular chemistry","2019","17","29","6998","7001","10.1039/c9ob00901a","","","0.71073","MoKα","","0.0499","0.0395","","","0.1048","0.1138","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156978","9.751","0.0007","16.7972","0.0013","20.8431","0.0014","90","","90","","90","","3413.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diethyl 2,2-bis(2-((1R,5R,6S,7S,10S,11S)-1,10-epoxyguaia-3-ene-6,12-olid)methyl)malonate","","","- C37 H48 O10 -","- C37 H48 O10 -","- C148 H192 O40 -","4","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","0.71073","MoKα","","0.0958","0.0616","","","0.131","0.165","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156979","8.8852","0.0001","10.6649","0.0001","31.4503","0.0002","90","","90","","90","","2980.22","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-((Diphenylphosphoryl)methyl)dihydrofuran-2(3H)-one","","","- C17 H17 O3 P -","- C17 H17 O3 P -","- C136 H136 O24 P8 -","8","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","1.54184","CuKα","","0.0654","0.0546","","","0.1295","0.1438","","","","","","1.145","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156980","10.1251","0.0006","10.1582","0.0007","17.4602","0.0011","90","","95.237","0.004","90","","1788.3","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diethyl 2,2-bis((2-oxotetrahydrofuran-3-yl)methyl)malonate","","","- C17 H24 O8 -","- C17 H24 O8 -","- C68 H96 O32 -","4","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","0.71073","MoKα","","0.1338","0.0709","","","0.1693","0.2134","","","","","","1.108","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156981","6.0344","0.0002","31.7014","0.001","12.0302","0.0004","90","","90","","90","","2301.36","0.13","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1R,5R,6S,7S,10S,11S)-11-((diphenylphosphoryl)methyl)-1,10-epoxyguaia-3-ene-6,12-olid","","","- C27 H29 O4 P -","- C27 H29 O4 P -","- C108 H116 O16 P4 -","4","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","1.54184","CuKα","","0.0718","0.0576","","","0.1408","0.1614","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156982","8.04807","0.00016","20.9106","0.0006","25.9109","0.0008","109.598","0.003","95.323","0.002","99.3812","0.0019","4001.7","0.2","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H43.25 B F2 N5 O8 S -","- C42 H43.25 B F2 N5 O8 S -","- C168 H173 B4 F8 N20 O32 S4 -","4","2","","Sirbu, D.; Zeng, L.; Waddell, P. G.; Benniston, A. C.","An unprecedented oxidised julolidine-BODIPY conjugate and its application in real-time ratiometric fluorescence sensing of sulfite.","Organic & biomolecular chemistry","2019","17","31","7360","7368","10.1039/c9ob01316d","","x-ray","1.54184","CuKα","","0.0619","0.047","","","0.1177","0.1289","","","","","","1.031","","","","has coordinates,has disorder","225231","2020-10-21","18:00:00",""
"7156983","9.1911","0.0011","10.2029","0.0014","10.5844","0.0014","105.786","0.004","112.987","0.004","97.227","0.004","848.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C40 H40 N8 O2 -","2","1","","Shiva Kumar, K.; Naikawadi, Praveen Kumar; Jatoth, Ramanna; Dandela, Rambabu","Bimetallic Cu/Pd-catalyzed three-component azide-alkyne cycloaddition/isocyanide insertion: synthesis of fully decorated tricyclic triazoles.","Organic & biomolecular chemistry","2019","17","31","7320","7324","10.1039/c9ob01175g","","","0.71073","MoKα","","0.0942","0.067","","","0.1294","0.1388","","","","","","1.148","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156984","9.0962","0.0005","10.1454","0.0006","18.0969","0.001","90","","92.369","0.002","90","","1668.64","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","1","","Shiva Kumar, K.; Naikawadi, Praveen Kumar; Jatoth, Ramanna; Dandela, Rambabu","Bimetallic Cu/Pd-catalyzed three-component azide-alkyne cycloaddition/isocyanide insertion: synthesis of fully decorated tricyclic triazoles.","Organic & biomolecular chemistry","2019","17","31","7320","7324","10.1039/c9ob01175g","","","0.71073","MoKα","","0.0575","0.046","","","0.1212","0.1325","","","","","","1.11","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156985","16.076","0.004","8.828","0.003","11.834","0.003","90","","103.487","0.01","90","","1633.2","0.8","150","","150","","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","0.5","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.1441","0.0841","","","0.2021","0.234","","","","","","1.088","","","","has coordinates,has disorder","225076","2020-10-21","18:00:00",""
"7156986","8.6965","0.0007","10.6905","0.0007","18.5537","0.0014","90","","96.339","0.003","90","","1714.4","0.2","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.0466","0.0408","","","0.1047","0.1096","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156987","11.7123","0.0012","11.9264","0.0014","14.137","0.0015","88.483","0.004","70.167","0.004","75.429","0.004","1794.1","0.3","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.0493","0.0385","","","0.0824","0.0901","","","","","","0.817","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156988","10.9939","0.0018","10.325","0.0019","15.434","0.003","90","","98.239","0.006","90","","1733.9","0.5","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N2 O5 -","- C21 H14 N2 O5 -","- C84 H56 N8 O20 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.055","0.0411","","","0.1002","0.109","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156989","13.455","0.002","10.3927","0.0013","13.4329","0.0019","90","","95.302","0.006","90","","1870.3","0.4","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N O3 -","- C25 H17 N O3 -","- C100 H68 N4 O12 -","4","1","","Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael","Ruthenium(ii)-catalysed selective C(sp<sup>2</sup>)-H bond benzoxylation of biologically appealing N-arylisoindolinones.","Organic & biomolecular chemistry","2019","17","32","7517","7525","10.1039/c9ob01122f","","x-ray","0.71073","MoKα","","0.0507","0.0401","","","0.0975","0.1042","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156990","17.209","0.003","5.034","0.0008","19.434","0.003","90","","104.812","0.005","90","","1627.6","0.5","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Mohr, Lisa-Marie; Bauer, Andreas; Jandl, Christian; Bach, Thorsten","Visible light-mediated intermolecular [2 + 2] photocycloaddition of 1-aryl-2-nitroethenes and olefins.","Organic & biomolecular chemistry","2019","17","30","7192","7203","10.1039/c9ob01146c","","x-ray","0.71073","MoKα","","0.077","0.0505","","","0.1142","0.1259","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156991","9.899","0.002","11.547","0.003","13.186","0.003","111.235","0.017","91.111","0.016","102.013","0.016","1366.7","0.6","296","0.2","296","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 N3 O4 -","- C31 H33 N3 O4 -","- C62 H66 N6 O8 -","2","1","","Hajra, Saumen; Maity, Subrata; Roy, Sayan; Das, Dhiraj","Controlling the regioselectivity of the ring opening of spiro-epoxyoxindoles for efficient synthesis of C(3)-N(1')-bisindoles and C(3)-N(1')-diindolylmethane.","Organic & biomolecular chemistry","2019","17","33","7747","7759","10.1039/c9ob01249d","","","0.71073","MoKα","","0.1856","0.0645","","","0.0898","0.1136","","","","","","0.938","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156992","11.2334","0.0008","9.4327","0.0006","23.5205","0.0018","90","","92","0.05","90","","2490.7","0.3","296","0.2","296","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br2 N3 O5 -","- C25 H19 Br2 N3 O5 -","- C100 H76 Br8 N12 O20 -","4","1","","Hajra, Saumen; Maity, Subrata; Roy, Sayan; Das, Dhiraj","Controlling the regioselectivity of the ring opening of spiro-epoxyoxindoles for efficient synthesis of C(3)-N(1')-bisindoles and C(3)-N(1')-diindolylmethane.","Organic & biomolecular chemistry","2019","17","33","7747","7759","10.1039/c9ob01249d","","","0.71073","MoKα","","0.0905","0.0572","","","0.1362","0.1582","","","","","","0.972","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156993","7.2208","0.0004","16.3286","0.0009","27.1076","0.0012","90","","90","","90","","3196.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 Br N2 O4 S -","- C35 H31 Br N2 O4 S -","- C140 H124 Br4 N8 O16 S4 -","4","1","","Franc, Michael; Urban, Michal; Císařová, Ivana; Veselý, Jan","Highly enantioselective addition of sulfur-containing heterocycles to isatin-derived ketimines.","Organic & biomolecular chemistry","2019","17","31","7309","7314","10.1039/c9ob01338e","","","0.71073","MoKα","","0.0578","0.0355","","","0.0661","0.0717","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156994","10.485","0.004","6.832","0.003","21.082","0.008","90","","90","","90","","1510.2","1","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H12 Cl3 N3 -","- C15 H12 Cl3 N3 -","- C60 H48 Cl12 N12 -","4","0.5","","Jiang, Shaohua; Yang, Zhihai; Guo, Ziyin; Li, Yibiao; Chen, Lu; Zhu, Zhongzhi; Chen, Xiuwen","Transition metal-free α-methylation of 1,8-naphthyridine derivatives using DMSO as methylation reagent.","Organic & biomolecular chemistry","2019","17","31","7416","7424","10.1039/c9ob01490j","","","0.71073","MoKα","","0.0787","0.0653","","","0.1794","0.1961","","","","","","1.063","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7156995","5.574","0.0011","12.623","0.003","14.179","0.003","110.91","0.03","95.03","0.03","95.13","0.03","920.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C36 H32 Br4 N4 O6 -","2","1","","Sun, Li; Liu, Yi; Wang, Yankai; Li, Yuanyuan; Liu, Zhiwen; Lu, Tao; Li, Wenhai","An efficient synthesis of oxazolines via a cascade reaction between azaoxyallyl cations and 1,2-benzisoxazoles.","Organic & biomolecular chemistry","2019","17","32","7526","7530","10.1039/c9ob01366k","","","0.71073","MoKα","","0.2092","0.1018","","","0.2194","0.2571","","","","","","1.216","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156996","9.231","0.003","9.999","0.003","11.902","0.004","113.249","0.004","91.355","0.004","107.746","0.003","948.2","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O4 S -","- C20 H18 N2 O4 S -","- C40 H36 N4 O8 S2 -","2","1","","Tian, Ting; Dong, An-Shun; Chen, Dan; Cao, Xian-Ting; Wang, Guannan","Regioselective C-C cross-coupling of 1,2,4-thiadiazoles with maleimides through iridium-catalyzed C-H activation.","Organic & biomolecular chemistry","2019","17","33","7664","7668","10.1039/c9ob01539f","","","0.71073","MoKα","","0.0647","0.046","","","0.1133","0.1258","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156997","10.1856","0.0014","16.187","0.002","11.0278","0.0015","90","","91.519","0.005","90","","1817.6","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 Cu0.5 N O7 -","- C15 H28 Cu0.5 N O7 -","- C60 H112 Cu2 N4 O28 -","4","1","","Kirillova, Marina V.; Fernandes, Tiago A.; André, Vânia; Kirillov, Alexander M.","Mild C-H functionalization of alkanes catalyzed by bioinspired copper(ii) cores.","Organic & biomolecular chemistry","2019","17","33","7706","7714","10.1039/c9ob01442j","","","0.71069","MoKα","","0.1047","0.0767","","","0.211","0.2347","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7156998","10.6013","0.0006","25.155","0.0013","8.9311","0.0004","90","","109.342","0.002","90","","2247.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cu N O6 -","- C23 H31 Cu N O6 -","- C92 H124 Cu4 N4 O24 -","4","1","","Kirillova, Marina V.; Fernandes, Tiago A.; André, Vânia; Kirillov, Alexander M.","Mild C-H functionalization of alkanes catalyzed by bioinspired copper(ii) cores.","Organic & biomolecular chemistry","2019","17","33","7706","7714","10.1039/c9ob01442j","","","0.71069","MoKα","","0.1572","0.1015","","","0.1928","0.2197","","","","","","1.065","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7156999","16.608","0.002","11.434","0.004","16.771","0.004","90","","100.803","0.006","90","","3128.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cu2 N2 O8 -","- C30 H44 Cu2 N2 O8 -","- C120 H176 Cu8 N8 O32 -","4","1","","Kirillova, Marina V.; Fernandes, Tiago A.; André, Vânia; Kirillov, Alexander M.","Mild C-H functionalization of alkanes catalyzed by bioinspired copper(ii) cores.","Organic & biomolecular chemistry","2019","17","33","7706","7714","10.1039/c9ob01442j","","","0.71069","MoKα","","0.1286","0.0574","","","0.1368","0.1642","","","","","","0.9","","","","has coordinates","225096","2020-10-21","18:00:00",""
"7157000","11.1159","0.0001","13.1734","0.0001","28.2695","0.0003","90","","96.402","0.001","90","","4113.81","0.07","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H26 N2 S -","- C24 H26 N2 S -","- C192 H208 N16 S8 -","8","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0254","0.0253","","","0.0677","0.0678","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157001","17.6143","0.0004","8.8624","0.00016","29.0155","0.0006","90","","98.484","0.002","90","","4479.9","0.16","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 S -","- C26 H30 N2 S -","- C208 H240 N16 S8 -","8","4","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0715","0.0514","","","0.1112","0.1208","","","","","","0.961","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157002","11.09166","0.00008","13.89141","0.00009","34.8221","0.0003","90","","90","","90","","5365.35","0.07","130","2","130","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H37 N3 O2 S -","- C28 H37 N3 O2 S -","- C224 H296 N24 O16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0376","0.0373","","","0.0852","0.0853","","","","","","1.161","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157003","9.16773","0.00005","14.33308","0.00008","15.08193","0.00008","90","","104.093","0.0005","90","","1922.15","0.019","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H44 N4 S2 -","- C46 H44 N4 S2 -","- C92 H88 N8 S4 -","2","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0271","0.0265","","","0.0677","0.0685","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157004","8.73671","0.00017","8.73671","0.00017","56.4484","0.001","90","","90","","90","","4308.71","0.14","130","2","130","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C25 H28 N2 S -","- C25 H28 N2 S -","- C200 H224 N16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0365","0.0356","","","0.0841","0.0846","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157005","9.6029","0.00007","10.57062","0.00006","23.0787","0.00013","90","","90","","90","","2342.69","0.03","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 S -","- C28 H32 N2 S -","- C112 H128 N8 S4 -","4","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0232","0.0231","","","0.0637","0.0638","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157006","12.9053","0.0001","12.9053","0.0001","16.087","0.0001","90","","90","","90","","2679.24","0.03","130","2","130","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H24 N2 S -","- C11 H24 N2 S -","- C88 H192 N16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0282","0.0272","","","0.0702","0.0711","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157007","9.0135","0.0002","9.2173","0.0002","10.0939","0.0002","100.231","0.002","94.54","0.002","112.553","0.002","752.08","0.03","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H38 N4 S2 -","- C35 H38 N4 S2 -","- C35 H38 N4 S2 -","1","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0398","0.0397","","","0.1091","0.1093","","","","","","1.163","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157008","10.168","0.00005","14.93848","0.00008","16.29099","0.00008","90","","99.1361","0.0005","90","","2443.12","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H27 N3 S2 -","- C27 H27 N3 S2 -","- C108 H108 N12 S8 -","4","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0308","0.0289","","","0.0733","0.0754","","","","","","1.045","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157009","14.3834","0.0002","10.6941","0.0001","29.8026","0.0006","90","","98.643","0.002","90","","4532.1","0.12","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H30 N3 O0.5 S -","- C26 H29.84 N3 O0.4925 S -","- C208 H238.72 N24 O3.94 S8 -","8","2","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0614","0.0537","","","0.1446","0.1525","","","","","","1.068","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157010","8.81055","0.0001","20.08758","0.00017","9.52368","0.00011","90","","112.355","0.0013","90","","1558.85","0.03","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H38.32 N4 O0.16 S2 -","- C35 H38.324 N4 O0.162 S2 -","- C70 H76.648 N8 O0.324 S4 -","2","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0334","0.032","","","0.0829","0.0852","","","","","","1.037","","","","has coordinates,has disorder","225094","2020-10-21","18:00:00",""
"7157011","6.3862","0.0003","8.2346","0.0004","17.2255","0.0012","100.358","0.005","97.648","0.005","95.824","0.004","875.83","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C42 H44 O6 -","2","1","","Liang, Yi-En; Lu, Chia-Ling; Li, Wen-Tai","Pd-Catalyzed sequential hydroarylation and olefination reactions of 3-allylchromones.","Organic & biomolecular chemistry","2019","17","32","7569","7583","10.1039/c9ob01147a","","","0.71073","MoKα","","0.0861","0.0618","","","0.1916","0.2156","","","","","","1.329","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157012","25.978","0.002","16.4871","0.0015","16.06","0.0014","90","","94.502","0.001","90","","6857.3","1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H80 N2 O4 -","- C80 H80 N2 O4 -","- C320 H320 N8 O16 -","4","0.5","","Wang, Lijiao; Hao, Wei; Han, Yanbing; Shi, Yamei; Li, Shuzhou; Zhang, Chunfang; Xiao, Jinchong","Facile and versatile access to substituted hexabenzoovalene derivatives: characterization and optoelectronic properties.","Organic & biomolecular chemistry","2019","17","34","7964","7972","10.1039/c9ob01446b","","","0.71073","MoKα","","0.108","0.0571","","","0.1603","0.1792","","","","","","1.033","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157013","13.351","0.004","25.715","0.007","5.749","0.0017","90","","90","","90","","1973.8","1","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H20 Br N O2 -","- C23 H20 Br N O2 -","- C92 H80 Br4 N4 O8 -","4","1","","Mondal, Buddhadeb; Balha, Megha; Pan, Subhas Chandra","Organocatalytic asymmetric spirocyclization reactions of cyclic 2,4-dienones with cyanoketones: synthesis of spiro-dihydropyrano cyclohexanones.","Organic & biomolecular chemistry","2019","17","34","7849","7853","10.1039/c9ob01415b","","","0.71073","MoKα","","0.1851","0.1147","","","0.234","0.2477","","","","","","1.88","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157014","17.2809","0.0013","16.3497","0.0012","16.6811","0.0013","90","","104.161","0.002","90","","4569.8","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Yoav333b (Hila)","","","- C48 H69 D2 N O3 Si2 -","- C48 H71 N O3 Si2 -","- C192 H284 N4 O12 Si8 -","4","1","","Toledo, Hila; Tumanskii, Boris; Sabirov, Denis Sh; Kaushansky, Alexander; Fridman, Natalia; Szpilman, Alex M.","First α-deuterium nitroxides; synthesis and EPR study.","Organic & biomolecular chemistry","2019","17","34","7900","7906","10.1039/c9ob01127g","","","0.71073","MoKα","","0.0789","0.0506","","","0.1347","0.1476","","","","","","1.056","","","","has coordinates,has disorder","225283","2020-10-21","18:00:00",""
"7157015","12.1351","0.0006","8.4982","0.0004","26.9828","0.0018","90","","95.024","0.004","90","","2772","0.3","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C31 H26 N2 O4 S -","- C31 H26 N2 O4 S -","- C124 H104 N8 O16 S4 -","4","1","","Hajra, Saumen; Bhosale, Suhas Shivajirao; Hazra, Atanu; Kanaujia, Nikhil","The one pot asymmetric synthesis of 3,3'-pyrrolidonyl spiroxindoles via a regio- and stereoselective domino reaction.","Organic & biomolecular chemistry","2019","17","35","8140","8148","10.1039/c9ob01570a","","","0.71073","MoKα","","0.0784","0.0528","","","0.1122","0.123","","","","","","0.944","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157016","9.5972","0.0006","11.9696","0.0008","14.6218","0.0009","104.321","0.002","91.69","0.002","113.084","0.002","1482.02","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N4 O3 -","- C36 H32 N4 O3 -","- C72 H64 N8 O6 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1194","0.0608","","","0.1348","0.1584","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157017","11.917","0.003","17.27","0.005","15.382","0.004","90","","92.563","0.009","90","","3162.6","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 N4 O3 -","- C36 H30 Cl2 N4 O3 -","- C144 H120 Cl8 N16 O12 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1209","0.0765","","","0.2138","0.2328","","","","","","1.098","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157018","8.8593","0.0009","22.333","0.002","15.6805","0.0015","90","","98.73","0.003","90","","3066.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Br N3 O4 -","- C35 H28 Br N3 O4 -","- C140 H112 Br4 N12 O16 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.0983","0.079","","","0.2088","0.2362","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157019","9.5329","0.0006","12.0116","0.0009","26.3133","0.0017","90","","92.348","0.002","90","","3010.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N5 O5 -","- C34 H25 N5 O5 -","- C136 H100 N20 O20 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1233","0.0762","","","0.1962","0.2196","","","","","","1.032","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157020","9.539","0.0012","20.876","0.003","14.712","0.002","90","","108.212","0.005","90","","2782.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 N3 O3 -","- C36 H27 N3 O3 -","- C144 H108 N12 O12 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1255","0.0669","","","0.1336","0.1537","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157021","7.792","0.0005","12.8131","0.0008","14.7154","0.0009","96.214","0.002","96.001","0.002","98.326","0.002","1434.32","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 N5 O2 -","- C36 H29 N5 O2 -","- C72 H58 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1027","0.0518","","","0.1087","0.1269","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157022","7.9255","0.001","12.9254","0.0015","15.224","0.002","92.788","0.004","101.518","0.004","99.593","0.004","1501.3","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 Br Cl N5 O2 -","- C35 H25 Br Cl N5 O2 -","- C70 H50 Br2 Cl2 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1237","0.0724","","","0.171","0.2009","","","","","","1.02","","","","has coordinates","225282","2020-10-21","18:00:00",""
"7157023","7.9473","0.0008","12.8859","0.0014","15.2264","0.0016","93.496","0.003","101.326","0.003","98.939","0.003","1503.6","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Br N5 O2 -","- C36 H28 Br N5 O2 -","- C72 H56 Br2 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1003","0.0636","","","0.1687","0.1949","","","","","","1.016","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157024","33.399","0.003","7.9839","0.0007","26.148","0.003","90","","110.495","0.003","90","","6531.1","1.1","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 Cl2 F N5 O3 -","- C37 H30 Cl2 F N5 O3 -","- C296 H240 Cl16 F8 N40 O24 -","8","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.0982","0.0643","","","0.1624","0.1833","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157025","15.553","0.0009","8.7812","0.0006","22.8541","0.0013","90","","106.896","0.0017","90","","2986.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Br N3 O4 -","- C35 H28 Br N3 O4 -","- C140 H112 Br4 N12 O16 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1433","0.0682","","","0.1639","0.1958","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157026","11.932","0.002","7.8696","0.0017","16.941","0.004","90","","106.606","0.007","90","","1524.4","0.6","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H31 N5 O3 -","- C37 H31 N5 O3 -","- C74 H62 N10 O6 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1509","0.0816","","","0.2124","0.2581","","","","","","0.972","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157027","7.9066","0.0007","12.8759","0.0012","15.1112","0.0012","93.932","0.003","100.459","0.003","98.838","0.003","1487.5","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl N5 O2 -","- C36 H28 Cl N5 O2 -","- C72 H56 Cl2 N10 O4 -","2","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.1593","0.0705","","","0.1395","0.1706","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157028","9.696","0.004","24.284","0.009","12.449","0.005","90","","100.612","0.011","90","","2881","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N4 O3 -","- C36 H28 N4 O3 -","- C144 H112 N16 O12 -","4","1","","Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.","Organic & biomolecular chemistry","2019","17","34","8008","8013","10.1039/c9ob01474h","","","0.71073","MoKα","","0.2923","0.0925","","","0.1603","0.2236","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157030","8.1478","0.0003","12.7979","0.0004","15.6927","0.0005","90","","101.559","0.001","90","","1603.17","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl3 N O9 -","- C31 H40 Cl3 N O9 -","- C62 H80 Cl6 N2 O18 -","2","1","","Wang, Wen-Xuan; Cheng, Gui-Guang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Li, Jing; Feng, Tao; Liu, Ji-Kai","Curtachalasins, immunosuppressive agents from the endophytic fungus Xylaria cf. curta.","Organic & biomolecular chemistry","2019","17","34","7985","7994","10.1039/c9ob01552c","","","1.54178","CuKα","","0.0725","0.071","","","0.1882","0.19","","","","","","1.101","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157031","10.9844","0.0004","12.425","0.0005","19.6238","0.0008","90","","90","","90","","2678.28","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O7 -","- C30 H37 N O7 -","- C120 H148 N4 O28 -","4","1","","Wang, Wen-Xuan; Cheng, Gui-Guang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Li, Jing; Feng, Tao; Liu, Ji-Kai","Curtachalasins, immunosuppressive agents from the endophytic fungus Xylaria cf. curta.","Organic & biomolecular chemistry","2019","17","34","7985","7994","10.1039/c9ob01552c","","","1.54178","CuKα","","0.0325","0.0311","","","0.0772","0.0786","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157032","11.2462","0.0014","16.3107","0.0019","25.345","0.003","90","","90","","90","","4649.1","1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 N O13 -","- C47 H45 N O13 -","- C188 H180 N4 O52 -","4","1","","Lu, Kui; Li, Ming; Huang, Yuna; Sun, Yuanyuan; Gong, Zhi; Wei, Qijun; Zhao, Xia; Zhang, Yongmin; Yu, Peng","Total synthesis of wikstrol A and wikstrol B.","Organic & biomolecular chemistry","2019","17","35","8206","8213","10.1039/c9ob01219b","","","","","","0.105","","","","","","","","","","","","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157033","22.6531","0.001","11.2558","0.0004","20.1149","0.0009","90","","105.379","0.001","90","","4945.2","0.4","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N O4 P -","- C29 H24 N O4 P -","- C232 H192 N8 O32 P8 -","8","1","","Hou, Hong; Xu, Yue; Yang, Haibo; Yan, Chaoguo; Shi, Yaocheng; Zhu, Shaoqun","Regioselective radical arylation: silver-mediated synthesis of 3-phosphorylated coumarins, quinolin-2(1H)-one and benzophosphole oxides.","Organic & biomolecular chemistry","2019","17","35","8175","8184","10.1039/c9ob01585j","","","0.71073","MoKα","","0.1032","0.0552","","","0.1239","0.1457","","","","","","1.0759","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157034","10.4035","0.0016","10.59","0.0016","13.0053","0.0019","89.785","0.005","77.673","0.005","69.24","0.004","1304.9","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 N O2 P -","- C31 H28 N O2 P -","- C62 H56 N2 O4 P2 -","2","1","","Hou, Hong; Xu, Yue; Yang, Haibo; Yan, Chaoguo; Shi, Yaocheng; Zhu, Shaoqun","Regioselective radical arylation: silver-mediated synthesis of 3-phosphorylated coumarins, quinolin-2(1H)-one and benzophosphole oxides.","Organic & biomolecular chemistry","2019","17","35","8175","8184","10.1039/c9ob01585j","","","0.71073","MoKα","","0.1853","0.0768","","","0.1396","0.1745","","","","","","1.0676","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157035","17.0617","0.0008","13.611","0.0006","11.3034","0.0006","90","","106.03","0.002","90","","2522.9","0.2","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 O3 P -","- C31 H27 O3 P -","- C124 H108 O12 P4 -","4","1","","Hou, Hong; Xu, Yue; Yang, Haibo; Yan, Chaoguo; Shi, Yaocheng; Zhu, Shaoqun","Regioselective radical arylation: silver-mediated synthesis of 3-phosphorylated coumarins, quinolin-2(1H)-one and benzophosphole oxides.","Organic & biomolecular chemistry","2019","17","35","8175","8184","10.1039/c9ob01585j","","","0.71073","MoKα","","0.0933","0.0565","","","0.1418","0.1596","","","","","","1.0516","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157036","13.387","0.0008","12.8591","0.0008","12.5553","0.0008","90","","90","","90","","2161.3","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C112 H96 N8 O4 -","4","1","","Magyar, Christina L.; Wall, Tyler J.; Davies, Steven B.; Campbell, Molly V.; Barna, Haven A.; Smith, Sydney R.; Savich, Christopher J.; Mosey, R. Adam","Triflic anhydride mediated synthesis of 3,4-dihydroquinazolines: a three-component one-pot tandem procedure.","Organic & biomolecular chemistry","2019","17","34","7995","8000","10.1039/c9ob01596e","","","0.71073","MoKα","","0.0478","0.04","","","0.0967","0.1035","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157037","9.97968","0.00004","10.81315","0.00005","27.7238","0.00012","90","","90","","90","","2991.72","0.02","283","9","283","9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 O6 -","- C31 H45 O6 -","- C124 H180 O24 -","4","1","","Duan, Yulin; Xie, Shuangshuang; Guo, Yi; Qiao, Yuben; Shi, Zhengyi; Tao, Li; Deng, Mengyi; Cao, Yunfang; Xue, Yongbo; Qi, Changxing; Zhang, Yonghui","Przewalcyrones A-F, epoxychromene-containing polycyclic polyprenylated acylphloroglucinols with immunosuppressive activity from Hypericum przewalskii Maxim.","Organic & biomolecular chemistry","2019","17","35","8234","8242","10.1039/c9ob01500k","","x-ray","1.54184","CuKα","","0.0419","0.0414","","","0.1248","0.1254","","","","","","1.03","","","","has coordinates","225278","2020-10-21","18:00:00",""
"7157038","17.483","0.005","8.483","0.005","24.544","0.005","90","0.005","97.103","0.005","90","0.005","3612","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 N O9 S -","- C39 H39 N O9 S -","- C156 H156 N4 O36 S4 -","4","1","","Verma, Kamal; Taily, Irshad Maajid; Banerjee, Prabal","Exploitation of donor-acceptor cyclopropanes and N-sulfonyl 1-azadienes towards the synthesis of spiro-cyclopentane benzofuran derivatives.","Organic & biomolecular chemistry","2019","17","35","8149","8152","10.1039/c9ob01369e","","","0.71073","MoKα","","0.1927","0.1027","","","0.1496","0.1748","","","","","","1.165","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157039","9.539","0.005","9.87","0.005","15.022","0.005","95.665","0.005","97.294","0.005","99.247","0.005","1374.4","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H30 O7 -","- C31 H30 O7 -","- C62 H60 O14 -","2","1","","Verma, Kamal; Taily, Irshad Maajid; Banerjee, Prabal","Exploitation of donor-acceptor cyclopropanes and N-sulfonyl 1-azadienes towards the synthesis of spiro-cyclopentane benzofuran derivatives.","Organic & biomolecular chemistry","2019","17","35","8149","8152","10.1039/c9ob01369e","","","0.71073","MoKα","","0.1477","0.0806","","","0.197","0.232","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157040","9.0014","0.0013","9.5478","0.0013","23.864","0.003","91.65","0.002","95.15","0.002","113.925","0.002","1862.4","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H38 N2 O6 -","- C48 H38 N2 O6 -","- C96 H76 N4 O12 -","2","1","","Muthusamy, Sengodagounder; Prabu, Ammasi; Suresh, Eringathodi","Copper-catalyzed synthesis of spiro-indolofurobenzopyrans: tandem reactions of diazoamides and O-propargyl salicylaldehydes.","Organic & biomolecular chemistry","2019","17","35","8088","8093","10.1039/c9ob01275c","","","0.71073","MoKα","","0.052","0.0465","","","0.1249","0.1282","","","","","","1.099","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157041","14.4652","0.0012","15.665","0.003","8.435","0.002","90","","91.931","0.007","90","","1910.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-(6,7-dihydro-5H-[1,2,3]triazolo[5',1':3,4][1,4]diazepino[1,2-a]indole-1-carbonyl)phenyl)acetamide","","- C22 H19 N5 O2 -","- C22 H19 N5 O2 -","- C88 H76 N20 O8 -","4","1","","Gour, Jitendra; Gatadi, Srikanth; Akunuri, Ravikumar; Yaddanapudi, Madhavi Venkata; Nengroo, Mushtaq Ahmad; Datta, Dipak; Chopra, Sidharth; Nanduri, Srinivas","Catalyst-free facile synthesis of polycyclic indole/pyrrole substituted-1,2,3-triazoles.","Organic & biomolecular chemistry","2019","17","35","8153","8165","10.1039/c9ob01560d","","","0.71073","MoKα","","0.0772","0.0533","","","0.1497","0.1703","","","","","","1.172","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157042","10.4975","0.0002","14.8593","0.0004","7.2597","0.0002","90","","101.37","0.001","90","","1110.18","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","RSR-4e","","- C12 H6 Cl2 N2 O2 -","- C12 H6 Cl2 N2 O2 -","- C48 H24 Cl8 N8 O8 -","4","1","","Sreenivasa Rao, Ramana; Shajan, Femil Joseph; Reddy, D. Srinivasa","A route to access imidazol[1,5-a]indole-1,3-diones and pyrrolo[1,2-c]imidazole-1,3-diones.","Organic & biomolecular chemistry","2019","17","36","8384","8390","10.1039/c9ob01462d","","","0.71073","MoKα","","0.0544","0.0398","","","0.0753","0.0801","","","","","","1.071","","","","has coordinates,has disorder","225269","2020-10-21","18:00:00",""
"7157043","7","0.0003","10.6452","0.0005","18.2521","0.0008","90","","98.614","0.001","90","","1344.74","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br N2 -","- C18 H13 Br N2 -","- C72 H52 Br4 N8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.0367","0.0271","","","0.0645","0.0684","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157044","7.50014","0.00011","16.7058","0.0002","22.9329","0.0003","90","","90","","90","","2873.4","0.07","100.03","0.1","100.03","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4,9,11-Tetraphenylquinazolino[7,8-h]quinazolinium perchlorate","","- C38 H25 Cl N4 O4 -","- C38 H25 Cl N4 O4 -","- C152 H100 Cl4 N16 O16 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","x-ray","1.54184","CuKα","","0.0423","0.0393","","","0.1024","0.1055","","","","","","1.055","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157045","20.993","0.007","16.92","0.006","13.496","0.005","90","","119.796","0.006","90","","4160","3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 N5 O7 -","- C24 H15 N5 O7 -","- C192 H120 N40 O56 -","8","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.1716","0.0936","","","0.1478","0.1758","","","","","","1.075","","","","has coordinates,has disorder","225277","2020-10-21","18:00:00",""
"7157046","4.6952","0.001","20.135","0.004","14.864","0.003","90","","93.406","0.004","90","","1402.7","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Ethoxycarbamoylpyrido[2,3-e]acenaphthene","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.0991","0.085","","","0.1778","0.1877","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157047","21.179","0.004","7.379","0.0015","22.305","0.004","90","","96.923","0.004","90","","3460.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C192 H144 N16 O8 -","8","2","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.1047","0.0663","","","0.1211","0.1296","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157048","10.755","0.003","14.1162","0.0014","15.1222","0.0015","117.094","0.002","99.24","0.002","90.86","0.002","2007.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14.67 N2 O1.33 -","- C18 H14.6667 N2 O1.33333 -","- C108 H88 N12 O8 -","6","3","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","","0.71073","MoKα","","0.1275","0.0523","","","0.0818","0.0998","","","","","","1.011","","","","has coordinates,has disorder","225277","2020-10-21","18:00:00",""
"7157049","10.238","0.0004","10.6914","0.0005","19.2761","0.0008","90","","90","","90","","2109.93","0.16","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Br N5 O3 -","- C22 H22 Br N5 O3 -","- C88 H88 Br4 N20 O12 -","4","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.0213","0.0196","","","0.0435","0.0441","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157050","17.594","0.002","10.7941","0.0013","25.355","0.003","90","","90","","90","","4815.2","1","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Br N5 O3 -","- C26 H24 Br N5 O3 -","- C208 H192 Br8 N40 O24 -","8","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.0565","0.0366","","","0.0747","0.0821","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157051","20.5473","0.0009","10.6285","0.0004","22.3229","0.001","90","","108.475","0.001","90","","4623.8","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 Br N5 O3 -","- C23 H24 Br N5 O3 -","- C184 H192 Br8 N40 O24 -","8","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.0464","0.033","","","0.0757","0.0812","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157052","11.1047","0.0006","9.546","0.0005","22.3027","0.0013","90","","102.179","0.001","90","","2311","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl N3 O3 -","- C26 H26 Cl N3 O3 -","- C104 H104 Cl4 N12 O12 -","4","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","1.54178","CuKα","","0.0332","0.0322","","","0.0782","0.0789","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157053","9.7016","0.0006","11.8988","0.0007","12.2186","0.0007","65.813","0.002","85.063","0.002","89.505","0.002","1281.34","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Br N3 O3 -","- C30 H28 Br N3 O3 -","- C60 H56 Br2 N6 O6 -","2","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.033","0.0279","","","0.0663","0.0684","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157054","8.1114","0.0012","35.404","0.003","9.9824","0.0015","90","","104.195","0.016","90","","2779.2","0.7","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Br N O6 -","- C33 H30 Br N O6 -","- C132 H120 Br4 N4 O24 -","4","1","","Zhang, Wen-Hui; Zhou, Yan-You; He, Xue-Wen; Gong, Yi; Liu, Xiong-Li; Zhou, Ying","An asymmetric iminium ion catalysis-enabled cascade cycloaddition reaction of chromone-oxindole synthons with enals: construction of a spirooxindole-hexahydroxanthone framework.","Organic & biomolecular chemistry","2019","17","36","8369","8373","10.1039/c9ob01670h","","x-ray","1.54184","CuKα","","0.1422","0.0809","","","0.1684","0.2052","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157055","28.608","0.003","28.608","0.003","11.5472","0.0012","90","","90","","120","","8184.3","1.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C432 H396 N36 O18 -","18","1","","Xu, Shengbo; Qiao, Shanshan; Sun, Song; Yu, Jin-Tao; Cheng, Jiang","Rhodium-catalyzed C-H activation/annulation of amidines with 4-diazoisochroman-3-imines toward isochromeno[3,4-c]isoquinolines.","Organic & biomolecular chemistry","2019","17","36","8417","8424","10.1039/c9ob01612k","","","1.34139","GaKα","","0.072","0.0577","","","0.1626","0.1796","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157056","10.416","0.0016","20.705","0.003","10.7592","0.0019","90","","98.861","0.013","90","","2292.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","2","","Pan, Jin-Long; Liu, Tuan-Qing; Chen, Chao; Li, Quan-Zhe; Jiang, Wei; Ding, Tong-Mei; Yan, Zhi-Qiang; Zhu, Guo-Dong","Rhodium(iii)-catalysed cascade [3 + 2] annulation of N-aryloxyacetamides with 3-(hetero)arylpropiolic acids: synthesis of benzofuran-2(3H)-ones.","Organic & biomolecular chemistry","2019","17","37","8589","8600","10.1039/c9ob01553a","","","1.54178","CuKα","","0.0338","0.0309","","","0.0836","0.0872","","","","","","0.678","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157057","11.34869","0.00014","12.79403","0.00016","14.62274","0.00018","90","","90","","90","","2123.16","0.05","293","2","293","2","","","","","","","Emericella sp. XL029","3","P 21 21 21","P 2ac 2ab","19","","Emerone A","","- C22 H32 O8 -","- C9.77778 H13.3333 O4 -","- C88 H120 O36 -","9","2.25","","Chen, Heng-Ye; Liu, Ting-Kai; Yang, Jian; Yang, Xiao-Long","Emerones A-C: three novel merosesquiterpenoids with unprecedented skeletons from Emericella sp. XL029.","Organic & biomolecular chemistry","2019","17","36","8450","8455","10.1039/c9ob01788g","","","1.54184","CuKα","","0.0496","0.0491","","","0.1157","0.1163","","","","","","1.161","","","","has coordinates","225267","2020-10-21","18:00:00",""
"7157058","7.68291","0.00011","12.60214","0.00017","21.2697","0.0003","90","","90","","90","","2059.36","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Emerone B","","- C21 H30 O7 -","- C9.77778 H13.3333 O3.11111 -","- C88 H120 O28 -","9","2.25","","Chen, Heng-Ye; Liu, Ting-Kai; Yang, Jian; Yang, Xiao-Long","Emerones A-C: three novel merosesquiterpenoids with unprecedented skeletons from Emericella sp. XL029.","Organic & biomolecular chemistry","2019","17","36","8450","8455","10.1039/c9ob01788g","","","1.54184","CuKα","","0.0336","0.0329","","","0.0839","0.0848","","","","","","1.079","","","","has coordinates","225267","2020-10-21","18:00:00",""
"7157059","18.3522","0.0013","11.8099","0.0008","10.9691","0.0005","90","","97.346","0.006","90","","2357.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F2 N4 S -","- C25 H28 F2 N4 S -","- C100 H112 F8 N16 S4 -","4","1","","Peng, Xiangjun; Qin, Feng; Xu, Mengyue; Zhu, Shaojie; Pan, Yingming; Tang, Haitao; Meng, Xiujin; Wang, Hengshan","Synthesis of imidazo[1,2-c]thiazoles through Pd-catalyzed bicyclization of tert-butyl isonitrile with thioamides.","Organic & biomolecular chemistry","2019","17","36","8403","8407","10.1039/c9ob01664c","","x-ray","1.54184","CuKα","","0.107","0.0844","","","0.3912","0.245","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157060","8.7442","0.001","11.0021","0.0012","14.959","0.0016","95.314","0.001","106.955","0.001","109.24","0.001","1271","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl2 N2 O2 S -","- C26 H24 Cl2 N2 O2 S -","- C52 H48 Cl4 N4 O4 S2 -","2","1","","Wu, Hao; Liu, Yu; He, Ming-Xing; Wen, Hao; Cao, Wei; Chen, Ping; Tang, Yu","Preparation of isoquinazolines via metal-free [4 + 2] cycloaddition of ynamides with nitriles.","Organic & biomolecular chemistry","2019","17","36","8408","8416","10.1039/c9ob01395d","","","0.71073","MoKα","","0.0693","0.0439","","","0.1046","0.1168","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157062","9.3497","0.00018","9.15478","0.00016","21.8715","0.0004","90","","92.8985","0.0015","90","","1869.68","0.06","293.1","0.3","293.1","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Chen, Lian-Mei; Zhao, Juan; Xia, An-Jie; Guo, Xiao-Qiang; Gan, Ya; Zhou, Chuang; Yang, Zai-Jun; Yang, Jun; Kang, Tai-Ran","A base-promoted cascade reaction of α,β-unsaturated N-tosylhydrazones with o-hydroxybenzyl alcohols: highly regioselective synthesis of N-sec-alkylpyrazoles.","Organic & biomolecular chemistry","2019","17","37","8561","8570","10.1039/c9ob01780a","","x-ray","1.54184","CuKα","","0.0574","0.0505","","","0.1393","0.151","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157063","8.94","0.0007","10.9431","0.0008","14.3252","0.0012","90","","101.51","0.008","90","","1373.27","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 F2 N2 O -","- C17 H12 F2 N2 O -","- C68 H48 F8 N8 O4 -","4","1","","Chen, Guojun; Li, Chenglong; Peng, Jianfeng; Yuan, Zeli; Liu, Peijun; Liu, Xiaozu","Silver-promoted decarboxylative radical addition/annulation of oxamic acids with gem-difluoroolefins: concise access to CF<sub>2</sub>-containing 3,4-dihydroquinolin-2-ones.","Organic & biomolecular chemistry","2019","17","37","8527","8532","10.1039/c9ob01236b","","x-ray","0.71073","MoKα","","0.0635","0.0482","","","0.1061","0.1152","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157064","11.7613","0.001","7.26","0.0004","15.9064","0.0013","90","","101.506","0.004","90","","1330.91","0.17","296","2","296.58","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 F7 N3 O -","- C9 H12 F7 N3 O -","- C36 H48 F28 N12 O4 -","4","1","","Liu, Shulin; Wang, Rui; Zhu, Bo; Guan, Wei; Liang, Fushun","Photo- and dioxygen-enabled radical C(sp<sup>3</sup>)-N(sp<sup>2</sup>) cross-coupling between guanidines and perfluoroalkyl iodides.","Organic & biomolecular chemistry","2019","17","38","8695","8700","10.1039/c9ob01520e","","","0.71073","MoKα","","0.157","0.1231","","","0.3689","0.4095","","","","","","1.566","","","","has coordinates","225292","2020-10-21","18:00:00",""
"7157065","10.986","0.018","9.949","0.016","10.414","0.017","90","","98.87","0.02","90","","1125","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 F7 N3 O -","- C7 H8 F7 N3 O -","- C28 H32 F28 N12 O4 -","4","1","","Liu, Shulin; Wang, Rui; Zhu, Bo; Guan, Wei; Liang, Fushun","Photo- and dioxygen-enabled radical C(sp<sup>3</sup>)-N(sp<sup>2</sup>) cross-coupling between guanidines and perfluoroalkyl iodides.","Organic & biomolecular chemistry","2019","17","38","8695","8700","10.1039/c9ob01520e","","","0.71073","MoKα","","0.1485","0.0681","","","0.1687","0.2164","","","","","","1.021","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157066","7.6514","0.0003","11.634","0.0004","13.327","0.0005","76.022","0.002","79.269","0.002","86.003","0.002","1130.68","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O8 S -","- C23 H23 N O8 S -","- C46 H46 N2 O16 S2 -","2","1","","Liu, Yanfei; Wu, Jiaping; Qian, Baiyang; Shang, Yongjia","Controllable construction of isoquinolinedione and isocoumarin scaffolds via Rh<sup>III</sup>-catalyzed C-H annulation of N-tosylbenzamides with diazo compounds.","Organic & biomolecular chemistry","2019","17","38","8768","8777","10.1039/c9ob01789e","","","0.71073","MoKα","","0.0613","0.0465","","","0.1398","0.1566","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157067","10.679","0.0007","12.0178","0.0008","11.2241","0.0007","90","","112.326","0.0014","90","","1332.5","0.15","123","0.1","123","0.1","","","","","","","dichloromethane/pentane","6","P 1 21 1","P 2yb","4","","","","- C25 H38 N O4 P S -","- C25 H38 N O4 P S -","- C50 H76 N2 O8 P2 S2 -","2","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.0273","0.0271","","","0.0709","0.0711","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157068","10.584","0.0006","15.7917","0.0008","18.4493","0.001","90","","90","","90","","3083.6","0.3","253","0.1","253","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N O5 P S -","- C30 H44 N O5 P S -","- C120 H176 N4 O20 P4 S4 -","4","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.044","0.0437","","","0.1133","0.1137","","","","","","1.137","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157069","16.0321","0.0005","6.1532","0.0002","9.7828","0.0003","90","","90","","90","","965.06","0.05","253","0.1","253","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br N -","- C10 H12 Br N -","- C40 H48 Br4 N4 -","4","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.0662","0.0656","","","0.1579","0.1582","","","","","","1.145","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157070","10.7127","0.0002","10.7127","0.0002","27.9476","0.0006","90","","90","","90","","3207.32","0.11","253","0.1","253","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C31 H42 Cl2 N2 O4 P2 -","- C31 H42 Cl2 N2 O4 P2 -","- C124 H168 Cl8 N8 O16 P8 -","4","0.5","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.028","0.0278","","","0.0741","0.0744","","","","","","1.054","","","","has coordinates,has disorder","225295","2020-10-21","18:00:00",""
"7157071","31.713","0.006","9.7","0.0019","18.993","0.004","90","","121.61","0.03","90","","4976","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","- C232 H224 N16 O32 -","8","1","","Zhu, Jindong; Fang, Shuaishuai; Jin, Shiyi; Ma, Rui; Lu, Tao; Du, Ding","Application of isatin-derived saturated esters in the synthesis of 3,3'-spirooxindole γ-butyrolactams.","Organic & biomolecular chemistry","2019","17","38","8745","8748","10.1039/c9ob01347d","","","0.71073","MoKα","","0.1426","0.0677","","","0.15","0.1898","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157072","9.394","0.0019","10.781","0.002","13.904","0.003","90","","106.87","0.03","90","","1347.6","0.5","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C31 H29 N3 O5 -","- C31 H29 N3 O5 -","- C62 H58 N6 O10 -","2","1","","Zhu, Jindong; Fang, Shuaishuai; Jin, Shiyi; Ma, Rui; Lu, Tao; Du, Ding","Application of isatin-derived saturated esters in the synthesis of 3,3'-spirooxindole γ-butyrolactams.","Organic & biomolecular chemistry","2019","17","38","8745","8748","10.1039/c9ob01347d","","","0.71073","MoKα","","0.0931","0.0626","","","0.1457","0.1651","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157073","11.7759","0.0006","8.847","0.0004","23.5375","0.0011","90","","90.994","0.002","90","","2451.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Br3 O4 -","- C27 H21 Br3 O4 -","- C108 H84 Br12 O16 -","4","1","","Neal, Taylor A.; Neal, Jennifer F.; Eippert, Allyson B.; Moore, Curtis; Allen, Heather C.; Badjić, Jovica D","An easily accessible isospiropyran switch.","Organic & biomolecular chemistry","2019","17","41","9124","9128","10.1039/c9ob01822k","","x-ray","0.71073","MoKα","","0.0404","0.0285","","","0.0643","0.069","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157074","8.6085","0.0008","9.1123","0.0008","10.0471","0.001","74.183","0.003","80.293","0.003","85.184","0.003","746.83","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Br2 Cl O2 -","- C16 H11 Br2 Cl O2 -","- C32 H22 Br4 Cl2 O4 -","2","1","","Neal, Taylor A.; Neal, Jennifer F.; Eippert, Allyson B.; Moore, Curtis; Allen, Heather C.; Badjić, Jovica D","An easily accessible isospiropyran switch.","Organic & biomolecular chemistry","2019","17","41","9124","9128","10.1039/c9ob01822k","","x-ray","0.71073","MoKα","","0.0292","0.0217","","","0.0468","0.0491","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157075","11.4092","0.0009","14.1314","0.001","15.9669","0.0012","109.501","0.002","99.298","0.003","101.718","0.002","2301.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H34 Br6 O9 S -","- C49 H34 Br6 O9 S -","- C98 H68 Br12 O18 S2 -","2","1","","Neal, Taylor A.; Neal, Jennifer F.; Eippert, Allyson B.; Moore, Curtis; Allen, Heather C.; Badjić, Jovica D","An easily accessible isospiropyran switch.","Organic & biomolecular chemistry","2019","17","41","9124","9128","10.1039/c9ob01822k","","x-ray","0.71073","MoKα","","0.0572","0.0386","","","0.0939","0.1028","","","","","","1.02","","","","has coordinates","225070","2020-10-21","18:00:00",""
"7157076","8.0552","0.0004","10.2825","0.0005","11.7512","0.0006","86.964","0.0012","71.0335","0.0012","70.4039","0.0012","865.45","0.08","298","2","297.99","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Cl3 N2 O3 -","- C16 H13 Cl3 N2 O3 -","- C32 H26 Cl6 N4 O6 -","2","1","","Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P.","Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles.","Organic & biomolecular chemistry","2019","17","39","8853","8857","10.1039/c9ob01345h","","","0.71073","MoKα","","0.0627","0.0455","","","0.1173","0.1292","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157077","15.3319","0.0009","6.1459","0.0004","13.6122","0.0008","90","","106.075","0.002","90","","1232.5","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P.","Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles.","Organic & biomolecular chemistry","2019","17","39","8853","8857","10.1039/c9ob01345h","","","0.71073","MoKα","","0.0754","0.0565","","","0.147","0.1677","","","","","","0.956","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157078","7.6987","0.0004","11.0695","0.0005","16.7175","0.0008","90","","98.836","0.001","90","","1407.77","0.12","304","2","304","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P.","Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles.","Organic & biomolecular chemistry","2019","17","39","8853","8857","10.1039/c9ob01345h","","","0.71073","MoKα","","0.1377","0.0794","","","0.2007","0.224","","","","","","1.452","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157079","8.8995","0.0004","12.8103","0.0006","13.9893","0.0006","90","","90","","90","","1594.85","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br O4 -","- C18 H13 Br O4 -","- C72 H52 Br4 O16 -","4","1","","Shi, Taoda; Teng, Shenghan; Gopi Krishna Reddy, Alavala; Guo, Xin; Zhang, Yueteng; Moore, Kohlson T.; Buckley, Thomas; Mason, Damian J.; Wang, Wei; Chapman, Eli; Hu, Wenhao","Catalytic asymmetric synthesis of 2,5-dihydrofurans using synergistic bifunctional Ag catalysis.","Organic & biomolecular chemistry","2019","17","38","8737","8744","10.1039/c9ob01903k","","","0.71073","MoKα","","0.0367","0.0297","","","0.0649","0.0679","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157080","12.8963","0.0005","13.1501","0.0003","17.101","0.0005","92.305","0.002","111.817","0.003","103.594","0.003","2590.69","0.16","289","3","289","3","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 N4 O4 -","- C50 H52 N4 O4 -","- C100 H104 N8 O8 -","2","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","1.54184","CuKα","","0.0637","0.0537","","","0.1524","0.1603","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157081","8.7924","0.0003","10.9272","0.0003","18.098","0.0007","90","","90","","90","","1738.79","0.1","296.93","0.13","296.93","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 F N2 O2 -","- C21 H17 F N2 O2 -","- C84 H68 F4 N8 O8 -","4","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","1.54184","CuKα","","0.0412","0.0334","","","0.0774","0.0822","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157082","11.2543","0.0004","11.6498","0.0003","23.6897","0.0007","90","","90","","90","","3105.96","0.16","295.01","0.13","295.01","0.13","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","0.71073","MoKα","","0.0828","0.0522","","","0.1143","0.1336","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157083","8.7087","0.0006","24.853","0.0016","10.406","0.0008","90","","110.876","0.008","90","","2104.4","0.3","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Br N2 O3 S -","- C23 H23 Br N2 O3 S -","- C92 H92 Br4 N8 O12 S4 -","4","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","0.71073","MoKα","","0.0532","0.0402","","","0.0884","0.0936","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157084","11.5219","0.0011","11.4926","0.0009","15.5242","0.0014","90","","92.72","0.003","90","","2053.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C92 H104 N8 O8 -","4","1","","Amiri, Kamran; Khosravi, Hormoz; Balalaie, Saeed; Golmohammadi, Farhad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Regio- and chemo-selective cyclization of allenic-Ugi products for the synthesis of 3-pyrroline skeletons.","Organic & biomolecular chemistry","2019","17","39","8858","8870","10.1039/c9ob01963d","","","0.71073","MoKα","","0.0875","0.0588","","","0.1456","0.1773","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157085","16.0878","0.0015","7.3312","0.0008","19.996","0.002","90","","101.831","0.005","90","","2308.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Cl2 N2 O2 -","- C25 H26 Cl2 N2 O2 -","- C100 H104 Cl8 N8 O8 -","4","1","","Amiri, Kamran; Khosravi, Hormoz; Balalaie, Saeed; Golmohammadi, Farhad; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Regio- and chemo-selective cyclization of allenic-Ugi products for the synthesis of 3-pyrroline skeletons.","Organic & biomolecular chemistry","2019","17","39","8858","8870","10.1039/c9ob01963d","","","0.71073","MoKα","","0.0687","0.0457","","","0.1082","0.1252","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157086","15.6522","0.001","13.6042","0.0007","12.4636","0.0008","90","","107.449","0.007","90","","2531.8","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C124 H108 N4 O16 S4 -","4","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.083","0.056","","","0.1417","0.1878","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157087","10.605","0.0004","16.0358","0.0005","16.1366","0.0005","69.467","0.003","72.006","0.003","89.666","0.003","2427.91","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 N2 O10 S2 -","- C56 H58 N2 O10 S2 -","- C112 H116 N4 O20 S4 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0811","0.0571","","","0.1296","0.1489","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157088","9.2545","0.0007","9.0908","0.0005","32.563","0.003","90","","96.115","0.007","90","","2724","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 N O4 S -","- C33 H31 N O4 S -","- C132 H124 N4 O16 S4 -","4","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.1096","0.0709","","","0.1451","0.1715","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157089","9.2331","0.0007","9.4073","0.0007","15.2033","0.0012","90","","91.611","0.007","90","","1320.01","0.17","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C64 H58 N2 O8 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0764","0.056","","","0.1297","0.1724","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157090","9.1034","0.0002","9.5264","0.0003","15.9591","0.0004","90","","91.547","0.002","90","","1383.51","0.06","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O5 S -","- C33 H31 N O5 S -","- C66 H62 N2 O10 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0352","0.0324","","","0.0897","0.0933","","","","","","0.927","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157091","8.3119","0.0004","24.2166","0.0014","11.0613","0.0005","90","","93.864","0.005","90","","2221.4","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C104 H100 N4 O16 S4 -","4","1","","Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.","Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.","Organic & biomolecular chemistry","2019","17","39","8806","8810","10.1039/c9ob02030f","","x-ray","0.71073","MoKα","","0.0697","0.0503","","","0.1139","0.1321","","","","","","1.042","","","","has coordinates","298703","2025-04-03","05:34:21",""
"7157092","6.0337","0.0002","12.7989","0.0004","15.3967","0.0005","83.2254","0.0014","79.7254","0.0012","82.5173","0.0012","1154.49","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O5 -","- C27 H23 N O5 -","- C54 H46 N2 O10 -","2","1","","Kurian, Jais; M, Muraleedharan Kannoth","Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts.","Organic & biomolecular chemistry","2019","17","39","8832","8848","10.1039/c9ob01655d","","","0.71073","MoKα","","0.0592","0.0478","","","0.1204","0.1318","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157093","11.6409","0.0014","11.8981","0.0011","12.5461","0.0014","67.133","0.005","76.352","0.005","89.759","0.005","1548.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C72 H68 N4 O8 -","2","1","","Kurian, Jais; M, Muraleedharan Kannoth","Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts.","Organic & biomolecular chemistry","2019","17","39","8832","8848","10.1039/c9ob01655d","","","0.71073","MoKα","","0.1481","0.0563","","","0.1161","0.158","","","","","","0.949","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157094","9.932","0.0003","12.9438","0.0004","18.2127","0.0004","90","","92.2716","0.0014","90","","2339.55","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C96 H116 N4 O24 -","4","1","","Kurian, Jais; M, Muraleedharan Kannoth","Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts.","Organic & biomolecular chemistry","2019","17","39","8832","8848","10.1039/c9ob01655d","","","0.71073","MoKα","","0.0758","0.049","","","0.1221","0.1384","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157095","10.0137","0.0014","11.9245","0.0016","12.3604","0.0017","80.619","0.004","82.259","0.004","67.699","0.004","1343","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Cl N O4 -","- C35 H22 Cl N O4 -","- C70 H44 Cl2 N2 O8 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.0923","0.0499","","","0.1044","0.1204","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157096","16.1126","0.0018","14.9541","0.0014","8.7949","0.0009","90","","104.805","0.004","90","","2048.8","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H15 Br O3 -","- C28 H15 Br O3 -","- C112 H60 Br4 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1238","0.0498","","","0.0852","0.105","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157097","7.6023","0.0003","14.1593","0.0006","14.3949","0.0007","112.791","0.0013","94.3666","0.0014","96.6561","0.0014","1406.45","0.11","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H19 Cl O3 -","- C34 H19 Cl O3 -","- C68 H38 Cl2 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.0649","0.0468","","","0.1149","0.1237","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157098","11.5199","0.0016","11.9192","0.0018","12.6746","0.0019","109.822","0.004","108.543","0.004","99.91","0.004","1473.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 Br N2 O3 -","- C37 H27 Br N2 O3 -","- C74 H54 Br2 N4 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.244","0.0815","","","0.1039","0.1395","","","","","","1.002","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157099","12.672","0.002","14.322","0.003","15.13","0.003","80.53","0.005","89.793","0.005","68.279","0.005","2511.3","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H19 Br O3 -","- C34 H19 Br O3 -","- C136 H76 Br4 O12 -","4","2","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1518","0.0661","","","0.1311","0.1597","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157100","11.465","0.002","11.89","0.003","12.656","0.003","110.391","0.007","108.863","0.006","98.617","0.007","1461.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N2 O3 -","- C38 H30 N2 O3 -","- C76 H60 N4 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1425","0.0661","","","0.1454","0.1753","","","","","","1.01","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157101","12.5801","0.0011","29.118","0.002","7.2563","0.0007","90","","98.229","0.003","90","","2630.7","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Br N O2 -","- C32 H18 Br N O2 -","- C128 H72 Br4 N4 O8 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1867","0.0784","","","0.1713","0.2118","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157102","9.9903","0.0007","12.0129","0.0008","12.3878","0.0008","80.372","0.002","82.962","0.002","68.265","0.002","1358.56","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Br N O4 -","- C35 H22 Br N O4 -","- C70 H44 Br2 N2 O8 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.0809","0.0409","","","0.085","0.0981","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157103","11.4707","0.0009","17.0265","0.0014","17.1384","0.0016","68.014","0.003","87.526","0.003","70.835","0.002","2919.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H52 Cl2 N2 O8 -","- C73 H52 Cl2 N2 O8 -","- C146 H104 Cl4 N4 O16 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.244","0.1287","","","0.3281","0.3991","","","","","","1.021","","","","has coordinates,has disorder","301861","2025-08-22","11:13:06",""
"7157104","6.8857","0.0002","16.5875","0.0005","24.9506","0.0007","90","","93.9567","0.0009","90","","2842.98","0.14","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H18 Cl4 O3 -","- C34 H18 Cl4 O3 -","- C136 H72 Cl16 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1192","0.0871","","","0.2267","0.2479","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157105","14.3618","0.0006","16.8874","0.0008","19.6152","0.0009","77.2599","0.0014","71.5053","0.0014","73.2936","0.0015","4277.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H19 Br O3 -","- C34 H19 Br O3 -","- C204 H114 Br6 O18 -","6","3","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1346","0.0705","","","0.1642","0.193","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157106","7.4625","0.0005","14.4575","0.001","14.4842","0.0009","111.262","0.0018","99.696","0.002","94.536","0.002","1418.71","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H22 O3 -","- C35 H22 O3 -","- C70 H44 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Construction of indeno[1,2-a]fluorene via domino reaction of 1,3-indanedione and 3-arylideneindolin-2-ones or chalcones.","Organic & biomolecular chemistry","2019","17","40","9008","9013","10.1039/c9ob01779h","","","0.71073","MoKα","","0.1126","0.0651","","","0.1636","0.1869","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157107","44.64","0.002","6.5823","0.0003","11.7225","0.0007","90","","90","","90","","3444.5","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H46 B2 O4 Se2 Si2 -","- C26 H46 B2 O4 Se2 Si2 -","- C104 H184 B8 O16 Se8 Si8 -","4","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","x-ray","0.71073","MoKα","","0.0727","0.0524","","","0.1193","0.1271","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157108","9.6143","0.0009","16.0071","0.0015","13.8424","0.0013","90","","94.363","0.001","90","","2124.1","0.3","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(Rp,Rp)-1","","- C49 H37 Cl3 Se4 -","- C49 H37 Cl3 Se4 -","- C98 H74 Cl6 Se8 -","2","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","","0.71073","MoKα","","0.0393","0.0335","","","0.081","0.0835","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157109","9.4081","0.0004","14.8474","0.0006","20.854","0.0008","90","","90","","90","","2913","0.2","273","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Sp)-4","","- C30 H36 Se2 Si2 -","- C30 H36 Se2 Si2 -","- C120 H144 Se8 Si8 -","4","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","","0.71073","MoKα","","0.0257","0.0215","","","0.046","0.047","","","","","","0.941","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157110","15.3447","0.0004","10.116","0.0002","10.7205","0.0003","90","","109.892","0.001","90","","1564.82","0.07","170","2","169.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Su, Yiting; Huang, Gaofeng; Ye, Fu; Qiao, Panpan; Ye, Jinxiang; Gao, Yu; Chen, Haijun","Facile access to evodiakine enabled by aerobic copper-catalyzed oxidative rearrangement.","Organic & biomolecular chemistry","2019","17","39","8811","8815","10.1039/c9ob01832h","","","1.34139","GaKα","","0.0595","0.0447","","","0.1046","0.1137","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157111","16.6547","0.0007","13.5081","0.0006","16.2182","0.0007","90","","117.968","0.001","90","","3222.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C152 H136 N24 O24 -","8","2","","Su, Yiting; Huang, Gaofeng; Ye, Fu; Qiao, Panpan; Ye, Jinxiang; Gao, Yu; Chen, Haijun","Facile access to evodiakine enabled by aerobic copper-catalyzed oxidative rearrangement.","Organic & biomolecular chemistry","2019","17","39","8811","8815","10.1039/c9ob01832h","","","0.71073","MoKα","","0.1184","0.0545","","","0.1119","0.1468","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157112","11.896","0.0007","10.6048","0.0005","13.5243","0.0008","90","","109.984","0.006","90","","1603.42","0.17","125.3","","125.3","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H36 F2 N4 O4 S -","- C35 H36 F2 N4 O4 S -","- C70 H72 F4 N8 O8 S2 -","2","1","","Zhou, Yuxuan; Ma, Fanghui; Lu, Ping; Wang, Yanguang","Preparation of spiro[imidazolidine-4,3'-indolin]-2'-imines via copper(i)-catalyzed formal [2 + 2 + 1] cycloaddition of 3-diazoindolin-2-imines and triazines.","Organic & biomolecular chemistry","2019","17","39","8849","8852","10.1039/c9ob01767d","","","0.71073","MoKα","","0.0591","0.0518","","","0.1269","0.1349","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157113","5.6468","0.0005","12.0159","0.001","14.1013","0.0013","81.991","0.005","89.552","0.005","82.145","0.005","938.51","0.14","150","","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br N O -","- C10 H8 Br N O -","- C40 H32 Br4 N4 O4 -","4","2","","Xu, Kang; Yang, Ruiqi; Yang, Shuang; Jiang, Cheng; Ding, Zhenhua","Hypervalent iodane mediated reactions of N-acetyl enamines for the synthesis of oxazoles and imidazoles.","Organic & biomolecular chemistry","2019","17","40","8977","8981","10.1039/c9ob01895f","","","0.71073","MoKα","","0.082","0.0631","","","0.1577","0.1658","","","","","","1.182","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157114","9.93","0.003","9.524","0.003","24.977","0.008","90","","90","","90","","2362.2","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C96 H88 Br8 N16 O16 -","8","1","","Xu, Kang; Yang, Ruiqi; Yang, Shuang; Jiang, Cheng; Ding, Zhenhua","Hypervalent iodane mediated reactions of N-acetyl enamines for the synthesis of oxazoles and imidazoles.","Organic & biomolecular chemistry","2019","17","40","8977","8981","10.1039/c9ob01895f","","","0.71073","MoKα","","0.0829","0.0451","","","0.0978","0.1142","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157115","11.026","0.002","15.703","0.003","12.684","0.003","90","","98.83","0.03","90","","2170.1","0.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C80 H96 N8 O24 S8 -","4","1","","Xu, Zhong-Qi; Wang, Wen-Bo; Zheng, Lin-Chuang; Li, Lin; Duan, Lili; Li, Yue-Ming","Iodine-mediated aminosulfonylation of alkenyl sulfonamides with sulfonyl hydrazides: synthesis of sulfonylmethyl piperidines, pyrrolidines and pyrazolines.","Organic & biomolecular chemistry","2019","17","40","9026","9038","10.1039/c9ob01847f","","","0.71073","MoKα","","0.0775","0.0644","","","0.1619","0.172","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157116","10.622","0.002","10.722","0.002","11.698","0.002","78.63","0.03","78.84","0.03","67.46","0.03","1196.1","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Cl N2 O4 S2 -","- C24 H23 Cl N2 O4 S2 -","- C48 H46 Cl2 N4 O8 S4 -","2","1","","Xu, Zhong-Qi; Wang, Wen-Bo; Zheng, Lin-Chuang; Li, Lin; Duan, Lili; Li, Yue-Ming","Iodine-mediated aminosulfonylation of alkenyl sulfonamides with sulfonyl hydrazides: synthesis of sulfonylmethyl piperidines, pyrrolidines and pyrazolines.","Organic & biomolecular chemistry","2019","17","40","9026","9038","10.1039/c9ob01847f","","","0.71073","MoKα","","0.057","0.0424","","","0.1104","0.119","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157117","10.0311","0.0019","13.762","0.003","14.965","0.003","92.146","0.005","95.34","0.005","97.624","0.005","2036.1","0.7","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H64 N4 O7 -","- C38 H64 N4 O7 -","- C76 H128 N8 O14 -","2","2","","Veeresh, Kuruva; Singh, Manjeet; Gopi, Hosahudya N.","Impact of substituent effects on the design of β-sheet mimetics and β-double helices from (E)-vinylogous γ-amino acid oligomers.","Organic & biomolecular chemistry","2019","17","41","9226","9231","10.1039/c9ob01801h","","","0.71073","MoKα","","0.3634","0.136","","","0.2802","0.381","","","","","","0.977","","","","has coordinates","225073","2020-10-21","18:00:00",""
"7157118","15.784","0.004","15.892","0.004","21.646","0.005","72.44","0.006","76.389","0.006","61.814","0.006","4534.9","1.9","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H66 N4 O7 -","- C43 H66 N4 O7 -","- C172 H264 N16 O28 -","4","2","","Veeresh, Kuruva; Singh, Manjeet; Gopi, Hosahudya N.","Impact of substituent effects on the design of β-sheet mimetics and β-double helices from (E)-vinylogous γ-amino acid oligomers.","Organic & biomolecular chemistry","2019","17","41","9226","9231","10.1039/c9ob01801h","","","0.71073","MoKα","","0.2689","0.0904","","","0.2058","0.2864","","","","","","0.942","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157119","6.2833","0.00003","33.99155","0.00012","8.90762","0.00005","90","","107.114","0.0005","90","","1818.25","0.016","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H54 N2 O7 -","- C43 H54 N2 O7 -","- C86 H108 N4 O14 -","2","1","","Kiełczewska, Urszula; Morzycki, Jacek W.; Rárová, Lucie; Wojtkielewicz, Agnieszka","The synthesis of solasodine F-homo-analogues.","Organic & biomolecular chemistry","2019","17","40","9050","9058","10.1039/c9ob01888c","","x-ray","1.54184","CuKα","","0.0268","0.0262","","","0.0674","0.0679","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157120","6.41147","0.00005","9.65864","0.00005","26.39665","0.00013","90","","91.6151","0.0006","90","","1633.99","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H49 N O6 S -","- C36 H49 N O6 S -","- C72 H98 N2 O12 S2 -","2","1","","Kiełczewska, Urszula; Morzycki, Jacek W.; Rárová, Lucie; Wojtkielewicz, Agnieszka","The synthesis of solasodine F-homo-analogues.","Organic & biomolecular chemistry","2019","17","40","9050","9058","10.1039/c9ob01888c","","x-ray","1.54184","CuKα","","0.034","0.0334","","","0.0902","0.0908","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157121","8.5498","0.0006","9.8965","0.0008","10.498","0.0008","86.67","0.002","77.284","0.002","65.193","0.002","785.94","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C36 H30 N2 O6 S2 -","2","1","","Ansari, Monish Arbaz; Yadav, Dhananjay; Soni, Sonam; Singh, Maya Shankar","Phosphonium ylide catalysis: a divergent diastereoselective approach to synthesize cyclic ketene acetals [thia(zolidines/zinanes)] from β-ketothioamides and dihaloalkanes.","Organic & biomolecular chemistry","2019","17","41","9151","9162","10.1039/c9ob01948k","","","0.71073","MoKα","","0.0549","0.0418","","","0.1048","0.1136","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157122","11.2395","0.0013","9.4816","0.0009","32.652","0.003","90","","90","","90","","3479.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H15 F3 N O S -","- C19 H16 F3 N O S -","- C152 H128 F24 N8 O8 S8 -","8","1","","Ansari, Monish Arbaz; Yadav, Dhananjay; Soni, Sonam; Singh, Maya Shankar","Phosphonium ylide catalysis: a divergent diastereoselective approach to synthesize cyclic ketene acetals [thia(zolidines/zinanes)] from β-ketothioamides and dihaloalkanes.","Organic & biomolecular chemistry","2019","17","41","9151","9162","10.1039/c9ob01948k","","","0.71073","MoKα","","0.0627","0.056","","","0.1417","0.1486","","","","","","0.991","","","","has coordinates","225071","2020-10-21","18:00:00",""
"7157123","7.5705","0.0005","11.9923","0.0007","27.772","0.002","90","","90","","90","","2521.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Cl N4 O -","- C28 H21 Cl N4 O -","- C112 H84 Cl4 N16 O4 -","4","1","","Ji, Yan-Ling; Li, He-Ping; Ai, Yue-Yan; Li, Guo; He, Xiang-Hong; Huang, Wei; Huang, Rui-Zhen; Han, Bo","Enantio- and diastereoselective synthesis of spiropyrazolones via an organocatalytic [1 + 2 + 3] multicomponent reaction.","Organic & biomolecular chemistry","2019","17","41","9217","9225","10.1039/c9ob01927h","","","1.54184","CuKα","","0.0605","0.0481","","","0.112","0.1235","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157124","7.6734","0.0005","11.9044","0.0008","27.0141","0.0017","90","","90","","90","","2467.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Cl N4 O -","- C28 H21 Cl N4 O -","- C112 H84 Cl4 N16 O4 -","4","1","","Ji, Yan-Ling; Li, He-Ping; Ai, Yue-Yan; Li, Guo; He, Xiang-Hong; Huang, Wei; Huang, Rui-Zhen; Han, Bo","Enantio- and diastereoselective synthesis of spiropyrazolones via an organocatalytic [1 + 2 + 3] multicomponent reaction.","Organic & biomolecular chemistry","2019","17","41","9217","9225","10.1039/c9ob01927h","","","1.54184","CuKα","","0.1326","0.0785","","","0.1863","0.2507","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157125","15.8495","0.0017","10.2381","0.0011","13.1866","0.0015","90","","104.544","0.012","90","","2071.2","0.4","295.54","0.1","295.54","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H9 F2 N3 O -","- C10 H9 F2 N3 O -","- C80 H72 F16 N24 O8 -","8","1","","You, Yi; Chen, Yueji; You, Chenhui; Wang, Junwen; Weng, Zhiqiang","Synthesis of 3-(tri/difluoromethyl)-1H-1,2,4-triazol-5(4H)-ones via the cyclization of hydrazinecarboxamides with tri/difluoroacetic anhydride.","Organic & biomolecular chemistry","2019","17","42","9343","9347","10.1039/c9ob01865d","","x-ray","0.71073","MoKα","","0.0547","0.0381","","","0.0988","0.1081","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:13:06",""
"7157126","8.042","0.004","10.654","0.005","20.098","0.009","84.402","0.006","81.612","0.007","85.682","0.007","1692.2","1.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 F9 N9 O3 -","- C30 H24 F9 N9 O3 -","- C60 H48 F18 N18 O6 -","2","1","","You, Yi; Chen, Yueji; You, Chenhui; Wang, Junwen; Weng, Zhiqiang","Synthesis of 3-(tri/difluoromethyl)-1H-1,2,4-triazol-5(4H)-ones via the cyclization of hydrazinecarboxamides with tri/difluoroacetic anhydride.","Organic & biomolecular chemistry","2019","17","42","9343","9347","10.1039/c9ob01865d","","","0.71073","MoKα","","0.1827","0.0816","","","0.1851","0.2402","","","","","","0.964","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157127","13.17","0.003","7.7111","0.0016","15.613","0.004","90","","105.44","0.01","90","","1528.4","0.6","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B F Fe O2 -","- C16 H20 B F Fe O2 -","- C64 H80 B4 F4 Fe4 O8 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0638","0.051","","","0.1353","0.145","","","","","","0.997","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157128","19.502","0.003","11.7498","0.0014","13.23","0.0018","90","","107.235","0.005","90","","2895.5","0.7","295","","295","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br F Fe Si -","- C13 H16 Br F Fe Si -","- C104 H128 Br8 F8 Fe8 Si8 -","8","2","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0661","0.0352","","","0.0767","0.0916","","","","","","1.019","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157129","12.4583","0.0014","14.7599","0.0014","20.49","0.002","90","","90","","90","","3767.8","0.7","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C22 H21 B F Fe P -","- C22 H21 B F Fe P -","- C176 H168 B8 F8 Fe8 P8 -","8","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0545","0.0409","","","0.1055","0.1138","","","","","","1.053","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157130","7.2","0.0007","10.0755","0.0011","11.5617","0.0011","64.721","0.003","78.205","0.003","84.196","0.004","742.31","0.13","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C16 H12 F Fe I S -","- C16 H12 F Fe I S -","- C32 H24 F2 Fe2 I2 S2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.022","0.0205","","","0.0488","0.0496","","","","","","1.139","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157131","6.5459","0.001","10.4479","0.0017","15.037","0.002","90","","91.505","0.006","90","","1028","0.3","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br Cl F Fe -","- C10 H7 Br Cl F Fe -","- C40 H28 Br4 Cl4 F4 Fe4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0382","0.0313","","","0.0787","0.0829","","","","","","1.057","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157132","12.21","0.0009","28.6668","0.0018","6.6319","0.0005","90","","100.875","0.003","90","","2279.6","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 F Fe I2 -","- C10 H7 F Fe I2 -","- C80 H56 F8 Fe8 I16 -","8","2","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0366","0.0334","","","0.0683","0.0692","","","","","","1.275","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157133","8.8626","0.0014","11.0153","0.0019","20.456","0.003","90","","98.537","0.005","90","","1974.9","0.5","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F Fe I S Si -","- C19 H20 F Fe I S Si -","- C76 H80 F4 Fe4 I4 S4 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0386","0.0345","","","0.0765","0.0782","","","","","","1.184","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157134","6.7304","0.001","13.738","0.003","17.564","0.003","90","","100.433","0.005","90","","1597.2","0.5","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 F Fe I O2 Si -","- C14 H16 F Fe I O2 Si -","- C56 H64 F4 Fe4 I4 O8 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0355","0.0322","","","0.0799","0.0817","","","","","","1.53","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157135","8.1302","0.0013","10.5516","0.0014","14.7688","0.0019","107.406","0.004","93.634","0.005","98.033","0.005","1189.6","0.3","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C26 H26 F Fe I O Si -","- C26 H26 F Fe I O Si -","- C52 H52 F2 Fe2 I2 O2 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0276","0.0231","","","0.0556","0.0582","","","","","","1.068","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157136","6.6845","0.0013","15.913","0.004","10.315","0.002","90","","99.375","0.008","90","","1082.6","0.4","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cl F Fe I -","- C10 H7 Cl F Fe I -","- C40 H28 Cl4 F4 Fe4 I4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.033","0.0294","","","0.0735","0.0754","","","","","","1.122","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157137","17.276","0.004","6.8553","0.0017","12.095","0.003","90","","100.988","0.008","90","","1406.2","0.6","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br F Fe Si -","- C13 H16 Br F Fe Si -","- C52 H64 Br4 F4 Fe4 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0764","0.0665","","","0.1523","0.1566","","","","","","1.226","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157138","8.514","0.002","10.875","0.003","11.472","0.003","86.069","0.008","84.834","0.009","82.271","0.008","1046.5","0.5","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C21 H24 F Fe I O2 Si -","- C21 H24 F Fe I O2 Si -","- C42 H48 F2 Fe2 I2 O4 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0281","0.0253","","","0.0582","0.0602","","","","","","1.07","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157139","8.1007","0.001","10.7372","0.0015","14.989","0.002","108.19","0.005","93.055","0.004","97.786","0.004","1220.8","0.3","150","","150","","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C25 H25 F Fe I O P Si -","- C25 H25 F Fe I O P Si -","- C50 H50 F2 Fe2 I2 O2 P2 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0379","0.0293","","","0.0669","0.072","","","","","","0.988","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157140","6.7234","0.0005","12.3647","0.0009","18.5635","0.0014","90","","91.338","0.003","90","","1542.8","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 F Fe I O Si -","- C14 H16 F Fe I O Si -","- C56 H64 F4 Fe4 I4 O4 Si4 -","4","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0493","0.0382","","","0.0729","0.0759","","","","","","1.121","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157141","7.148","0.0008","9.9469","0.0013","15.3417","0.0019","108.069","0.004","97.069","0.004","91.763","0.004","1026.4","0.2","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C20 H20 F Fe I O S Si -","- C20 H20 F Fe I O S Si -","- C40 H40 F2 Fe2 I2 O2 S2 Si2 -","2","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0292","0.0238","","","0.0653","0.0679","","","","","","1.16","","","","has coordinates,has disorder","225107","2020-10-21","18:00:00",""
"7157142","19.0038","0.0006","7.304","0.0002","25.2096","0.0007","90","","108.964","0.003","90","","3309.26","0.18","99.97","0.1","99.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 F N3 O3 -","- C19 H18 F N3 O3 -","- C152 H144 F8 N24 O24 -","8","2","","Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu","Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.","Organic & biomolecular chemistry","2019","17","42","9390","9402","10.1039/c9ob01429b","","","0.71073","MoKα","","0.0639","0.0464","","","0.0959","0.1068","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157143","15.516","0.005","9.876","0.004","23.035","0.007","90","","104.61","0.02","90","","3416","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Br2 N6 O6 -","- C36 H32 Br2 N6 O6 -","- C144 H128 Br8 N24 O24 -","4","1","","Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu","Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.","Organic & biomolecular chemistry","2019","17","42","9390","9402","10.1039/c9ob01429b","","","0.71073","MoKα","","0.0991","0.0498","","","0.1058","0.1222","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157144","24.8162","0.0005","11.0757","0.0002","34.2851","0.0007","90","","100.28","0.002","90","","9272.2","0.3","100.03","0.11","100.03","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H45 Br2 N6 O6 -","- C46 H45 Br2 N6 O6 -","- C368 H360 Br16 N48 O48 -","8","1","","Rao, Madhuri P.; Gunaga, Shubha S.; Zuegg, Johannes; Pamarthi, Rambabu; Ganesh, Madhu","Highly regio- and diastereoselective [3 + 2]-cycloadditions involving indolediones and α,β-disubstituted nitroethylenes.","Organic & biomolecular chemistry","2019","17","42","9390","9402","10.1039/c9ob01429b","","","0.71073","MoKα","","0.0604","0.0512","","","0.1577","0.1653","","","","","","1.077","","","","has coordinates,has disorder","225105","2020-10-21","18:00:00",""
"7157145","8.5917","0.0013","13.421","0.002","21.279","0.003","90","","90","","90","","2453.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O5 S -","- C27 H24 N2 O5 S -","- C108 H96 N8 O20 S4 -","4","1","","Lu, Min; Li, Hong; Zou, Chuncheng; Li, Jianchang; Liu, Chengyu; Sun, Maolin; Ma, Yueyue; Cheng, Ruihua; Ye, Jinxing","Primary amine catalyzed diastereo- and enantioselective Michael reaction of thiazolones and α,β-unsaturated ketones.","Organic & biomolecular chemistry","2019","17","42","9305","9312","10.1039/c9ob02067e","","","0.71073","MoKα","","0.0522","0.0433","","","0.1057","0.1114","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157147","9.0518","0.0004","12.1315","0.0005","18.9731","0.0008","90","","90","","90","","2083.47","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","28","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Luo, Shao-Xiong; Liu, Yanzhou; Lambrecht, Michael J.; Ortwine, Daniel F.; DiPasquale, Antonio G.; Liang, Jun; Wang, Xiaojing; Zbieg, Jason R.; Li, Jun","cis-Selective synthesis of 1,3-disubstituted tetrahydro-β-carbolines from N-sulfonyl N,S-acetals.","Organic & biomolecular chemistry","2019","17","43","9510","","10.1039/c9ob01796h","","","0.71073","MoKα","","0.0472","0.0403","","","0.0889","0.0922","","","","","","1.081","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157148","9.2149","0.0003","11.3488","0.0004","19.7251","0.0007","90","","90","","90","","2062.81","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","14","","- C23 H26 N2 O3 S -","- C23 H26 N2 O3 S -","- C92 H104 N8 O12 S4 -","4","1","","Luo, Shao-Xiong; Liu, Yanzhou; Lambrecht, Michael J.; Ortwine, Daniel F.; DiPasquale, Antonio G.; Liang, Jun; Wang, Xiaojing; Zbieg, Jason R.; Li, Jun","cis-Selective synthesis of 1,3-disubstituted tetrahydro-β-carbolines from N-sulfonyl N,S-acetals.","Organic & biomolecular chemistry","2019","17","43","9510","","10.1039/c9ob01796h","","","0.71073","MoKα","","0.0364","0.0342","","","0.0826","0.0843","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157149","9.6081","0.0003","15.136","0.0004","11.7745","0.0003","90","","101.041","0.003","90","","1680.65","0.08","199.94","0.12","199.94","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 S -","- C22 H16 N2 S -","- C88 H64 N8 S4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","","1.54184","CuKα","","0.0829","0.073","","","0.1773","0.1856","","","","","","1.021","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157150","13.0978","0.0006","8.4281","0.0004","21.7783","0.0009","90","","103.164","0.004","90","","2340.92","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 O4 S -","- C28 H20 N4 O4 S -","- C112 H80 N16 O16 S4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","","1.54184","CuKα","","0.1047","0.0749","","","0.1957","0.221","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157151","8.7248","0.0013","8.5852","0.001","11.534","0.0017","90","","105.252","0.017","90","","833.5","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H14 N2 O -","- C22 H16 N2 O -","- C44 H32 N4 O2 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.1186","0.062","","","0.1374","0.1707","","","","","","1.012","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157152","9.4466","0.0004","9.9176","0.0004","19.5777","0.0009","79.604","0.004","86.538","0.004","70.029","0.004","1695.59","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N8 O S2 -","- C40 H30 N8 O S2 -","- C80 H60 N16 O2 S4 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","","1.54184","CuKα","","0.0726","0.0633","","","0.1823","0.1937","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157153","8.8175","0.001","10.9212","0.0015","10.9295","0.0016","76.676","0.012","67.685","0.012","89.692","0.01","943.5","0.2","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N2 O4 S -","- C24 H16 N2 O4 S -","- C48 H32 N4 O8 S2 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.2095","0.0726","","","0.1194","0.1677","","","","","","0.925","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157154","9.6424","0.0015","15.1758","0.0017","11.7826","0.0013","90","","101.61","0.013","90","","1688.9","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 Se -","- C22 H16 N2 Se -","- C88 H64 N8 Se4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.1725","0.0958","","","0.1745","0.2162","","","","","","1.058","","","","has coordinates","225311","2020-10-21","18:00:00",""
"7157155","9.5114","0.001","15.691","0.0017","11.5516","0.0011","90","","98.966","0.009","90","","1702.9","0.3","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F2 N2 S -","- C22 H14 F2 N2 S -","- C88 H56 F8 N8 S4 -","4","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.1595","0.1213","","","0.3057","0.3486","","","","","","1.0658","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157156","11.8825","0.0006","12.7306","0.0005","20.6914","0.0008","90.924","0.003","101.853","0.004","111.378","0.004","2838.3","0.2","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C72 H60 N6 Se3 -","- C72 H60 N6 Se3 -","- C144 H120 N12 Se6 -","2","1","","Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.","Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.","Organic & biomolecular chemistry","2019","17","43","9467","","10.1039/c9ob01762c","","x-ray","0.71073","MoKα","","0.0669","0.0385","","","0.072","0.0808","","","","","","1.0209","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157157","6.4036","0.0012","7.8241","0.0019","14.538","0.003","85.37","0.003","89.441","0.002","70.995","0.002","686.3","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C32 H26 N2 O4 S2 -","2","1","","You, Guirong; Xi, Dan; Sun, Jian; Hao, Liqiang; Xia, Chengcai","Transition-metal- and oxidant-free three-component reaction of quinoline N-oxides, sodium metabisulfite and aryldiazonium tetrafluoroborates via a dual radical coupling process.","Organic & biomolecular chemistry","2019","17","43","9479","","10.1039/c9ob02106j","","","0.71073","MoKα","","0.0545","0.0424","","","0.1328","0.1445","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157158","13.4238","0.0005","10.0908","0.0003","16.9778","0.0007","90","","96.486","0.004","90","","2285.04","0.15","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","He, Yi; Narmon, Thomas; Wu, Danjun; Li, Zhenghua; Van Meervelt, Luc; Van der Eycken, Erik V.","A gold-triggered dearomative spirocarbocyclization/Diels-Alder reaction cascade towards diverse bridged N-heterocycles.","Organic & biomolecular chemistry","2019","17","43","9529","","10.1039/c9ob01967g","","x-ray","0.71073","MoKα","","0.1043","0.0677","","","0.1724","0.1975","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157159","11.7236","0.0005","11.754","0.0005","17.2404","0.0008","73.252","0.004","73.789","0.004","71.074","0.004","2106.24","0.17","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C96 H104 N8 O12 -","4","2","","He, Yi; Narmon, Thomas; Wu, Danjun; Li, Zhenghua; Van Meervelt, Luc; Van der Eycken, Erik V.","A gold-triggered dearomative spirocarbocyclization/Diels-Alder reaction cascade towards diverse bridged N-heterocycles.","Organic & biomolecular chemistry","2019","17","43","9529","","10.1039/c9ob01967g","","x-ray","0.71073","MoKα","","0.09","0.058","","","0.123","0.1407","","","","","","1.044","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157181","27.319","0.0006","27.319","0.0006","19.5324","0.0004","90","","90","","120","","12624.5","0.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H36 Cl N3 O Pd Se -","- C24 H36 Cl N3 O Pd Se -","- C432 H648 Cl18 N54 O18 Pd18 Se18 -","18","1","","Sharma, Kamal Nayan; Satrawala, Naveen; Srivastava, Avinash Kumar; Ali, Munsaf; Joshi, Raj Kumar","Palladium(ii) ligated with a selenated (Se, C<sub>NHC</sub>, N<sup>-</sup>)-type pincer ligand: an efficient catalyst for Mizoroki-Heck and Suzuki-Miyaura coupling in water.","Organic & biomolecular chemistry","2019","17","40","8969","8976","10.1039/c9ob01674k","","","0.71073","MoKα","","0.0724","0.0578","","","0.175","0.1876","","","","","","1.059","","","","has coordinates","223419","2020-10-21","18:00:00",""
"7157182","11.065","","11.521","","15.832","","90","","97.78","","90","","1999.68","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Zeng, Qian; Dong, Kuiyong; Huang, Jingjing; Qiu, Lihua; Xu, Xinfang","Copper-catalyzed carbene/alkyne metathesis terminated with the Buchner reaction: synthesis of dihydrocyclohepta[b]indoles.","Organic & biomolecular chemistry","2019","17","9","2326","2330","10.1039/c9ob00113a","","","0.71073","MoKα","","0.1476","0.1073","","","0.1803","0.2016","","","","","","1.185","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157183","12.875","0.002","13.03","0.002","15.195","0.003","76.583","0.012","78.566","0.012","72.177","0.012","2338.2","0.7","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N2 O3 S -","- C29 H22 N2 O3 S -","- C116 H88 N8 O12 S4 -","4","2","","Kundal, Sandip; Chakraborty, Baitan; Paul, Kartick; Jana, Umasish","Efficient two-step synthesis of structurally diverse indolo[2,3-b]quinoline derivatives.","Organic & biomolecular chemistry","2019","17","9","2321","2325","10.1039/c8ob03033b","","","0.71073","MoKα","","0.1707","0.0691","","","0.1304","0.1594","","","","","","0.773","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157184","8.5086","0.0004","17.1346","0.0008","22.5907","0.0011","90","","99.192","0.002","90","","3251.2","0.3","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 S -","- C19 H16 N2 S -","- C152 H128 N16 S8 -","8","2","","Zhang, Xi; Wang, Tong-Lin; Liu, Xiao-Jun; Wang, Xi-Cun; Quan, Zheng-Jun","The solvent-controlled chemoselective construction of C-S/S-S bonds via the Michael reaction/thiol coupling of quinoline-2-thiones.","Organic & biomolecular chemistry","2019","17","9","2379","2383","10.1039/c8ob02971g","","","1.54178","CuKα","","0.0416","0.0376","","","0.1034","0.1074","","","","","","1.028","","","","has coordinates,has disorder","301861","2025-08-22","11:13:07",""
"7157185","11.79","0.007","7.792","0.004","16.696","0.009","90","","103.74","0.02","90","","1489.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","pyrazole","'(Z)-1,1,1-trifluoro-5-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-4-(pyrroli","","- C14 H15 F6 N3 O -","- C14 H15 F6 N3 O -","- C56 H60 F24 N12 O4 -","4","1","","Moraes, Paulo A.; Lobo, Marcio M.; Marangoni, Mário A; Meyer, Alexandre R.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Chemo- and regioselective reactions of 5-bromo enones/enaminones with pyrazoles.","Organic & biomolecular chemistry","2019","17","9","2384","2392","10.1039/c9ob00234k","","","0.71073","MoKα","","0.1381","0.1162","","","0.319","0.3372","","","","","","1.421","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157186","11.65","0.005","18.43","0.005","15.238","0.005","90","0.005","90","0.005","90","0.005","3272","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","pyrazole","'4-(diethylamino)-5-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)pent-3-en-2-on","","- C14 H17 F6 N3 O -","- C14 H17 F6 N3 O -","- C112 H136 F48 N24 O8 -","8","1","","Moraes, Paulo A.; Lobo, Marcio M.; Marangoni, Mário A; Meyer, Alexandre R.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Chemo- and regioselective reactions of 5-bromo enones/enaminones with pyrazoles.","Organic & biomolecular chemistry","2019","17","9","2384","2392","10.1039/c9ob00234k","","","0.71073","MoKα","","0.1432","0.1065","","","0.2811","0.3125","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157187","17.353","0.005","24.435","0.008","5.4165","0.0017","90","","90","","90","","2296.7","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br2 O5 -","- C24 H24 Br2 O5 -","- C96 H96 Br8 O20 -","4","1","","Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.","Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.","Organic & biomolecular chemistry","2019","17","31","7398","7407","10.1039/c9ob01353a","","","0.71073","MoKα","","0.1571","0.0605","","","0.1377","0.1942","","","","","","0.974","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157188","5.845","0.0005","7.6852","0.0006","12.8843","0.001","90","","100.457","0.008","90","","569.15","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 Br O3 -","- C12 H13 Br O3 -","- C24 H26 Br2 O6 -","2","1","","Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.","Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.","Organic & biomolecular chemistry","2019","17","31","7398","7407","10.1039/c9ob01353a","","","0.71073","MoKα","","0.0541","0.0437","","","0.0851","0.093","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157189","13","0.005","13.405","0.005","17.492","0.007","90","","90","","90","","3048","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O7 -","- C32 H32 N2 O7 -","- C128 H128 N8 O28 -","4","1","","Sharma, Arun; Sharma, Vivek; Chimni, Swapandeep Singh","Organocatalytic enantioselective conjugate addition of pyrazolin-5-ones to arylomethylidene malonates.","Organic & biomolecular chemistry","2019","17","43","9514","","10.1039/c9ob01700c","","","0.71073","MoKα","","0.0992","0.0664","","","0.1851","0.2191","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157225","9.145","0.006","11.501","0.007","11.649","0.008","117.55","0.02","94.48","0.03","91.05","0.02","1080.9","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N4 O2 -","- C24 H24 N4 O2 -","- C48 H48 N8 O4 -","2","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.092","0.061","","","0.1456","0.1621","","","","","","1.024","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157226","8.7498","0.0005","18.5113","0.0011","9.4511","0.0006","90","","99.3488","0.0019","90","","1510.46","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O5 S2 -","- C17 H12 O5 S2 -","- C68 H48 O20 S8 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.0584","0.0412","","","0.1011","0.109","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157227","38.315","0.003","38.315","","5.547","0.0008","90","","90","","90","","8143.2","1.3","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C368 H368 N48 O32 -","16","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","1.54178","CuKα","","0.0713","0.0502","","","0.1101","0.1205","","","","","","1.055","","","","has coordinates","237922","2020-10-21","18:00:00",""
"7157228","11.6856","0.0009","14.0485","0.0011","13.2869","0.001","90","","96.0216","0.0018","90","","2169.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.0897","0.048","","","0.1082","0.1333","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157229","8.8058","0.0009","20.394","0.002","9.6437","0.001","90","","99.794","0.004","90","","1706.6","0.3","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C88 H64 O12 S4 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.1122","0.0686","","","0.1245","0.1417","","","","","","1.0557","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157230","9.6018","0.0007","12.4113","0.001","16.8115","0.0014","90","","96.978","0.003","90","","1988.6","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O3 S -","- C24 H23 N O3 S -","- C96 H92 N4 O12 S4 -","4","1","","Aiken, Stuart; Anozie, Kelechi; de Azevedo, Orlando D. C. C.; Cowen, Lewis; Edgar, Ross J. L.; Gabbutt, Christopher D.; Heron, B. Mark; Lawrence, Philippa A.; Mills, Abby J.; Rice, Craig R.; Urquhart, Mike W. J.; Zonidis, Dimitrios","Expedient synthesis of highly substituted 3,4-dihydro-1,2-oxathiine 2,2-dioxides and 1,2-oxathiine 2,2-dioxides: revisiting sulfene additions to enaminoketones.","Organic & biomolecular chemistry","2019","17","44","9585","9604","10.1039/c9ob01657k","","","0.71073","MoKα","","0.0512","0.0396","","","0.1011","0.1086","","","","","","1.0519","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7202472","17.432","0.006","18.687","0.006","21.199","0.007","83.439","0.007","66.224","0.007","89.876","0.006","6271","4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H88 S3 -","- C70 H88 S3 -","- C280 H352 S12 -","4","2","","Mathieu Surin; Prashant Sonar; Andrew C. Grimsdale; Klaus Müllen; Steven De Feyter; Satoshi Habuchi; Stefano Sarzi; Els Braeken; An Ver Heyen; Mark Van der Auweraer; Frans C. De Schryver; Massimiliano Cavallini; Jean-François Moulin; Fabio Biscarini; Cristina Femoni; Roberto Lazzaroni; Philippe Leclère","Solid-state assemblies and optical properties of conjugated oligomers combining fluorene and thiophene units","Journal of Materials Chemistry","2007","17","8","728","","10.1039/b610132a","","","0.71073","MoKα","","0.2555","0.0858","","","0.1723","0.2265","","","","","","0.918","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202473","11.0586","0.0006","25.0054","0.0011","9.3633","0.0007","90","","108.299","0.002","90","","2458.3","0.3","296","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H30 N O -","- C31 H30 N O -","- C124 H120 N4 O4 -","4","1","","Oka, Hiroyuki; Kouno, Hiroshi; Tanaka, Hitoshi","Synthesis and through-bond spin interaction of stable 1,3-phenylene-linked polyradical carrying aminoxyls in the ?-conjugated main chain","Journal of Materials Chemistry","2007","17","12","1209","","10.1039/b610365k","","","1.54178","CuKα","","0.0494","0.0451","","","0.1087","0.1142","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202478","3.9826","0.0004","10.6","0.001","18.559","0.002","90","","91.327","0.005","90","","783.27","0.14","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 S2 -","- C18 H14 N2 O2 S2 -","- C36 H28 N4 O4 S4 -","2","0.5","","Ando, Shinji; Kumaki, Daisuke; Nishida, Jun-ichi; Tada, Hirokazu; Inoue, Youji; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, physical properties and field-effect transistors of novel thiazolothiazole?phenylene co-oligomers","Journal of Materials Chemistry","2007","17","6","553","","10.1039/b611814c","","","0.7107","MoKα","","","0.0567","","","","0.1601","","","","","","1.832","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202479","3.744","0.004","6.07","0.007","15.84","0.02","91.8","0.05","96.94","0.05","84.68","0.04","355.7","0.7","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H4 F6 N2 S2 -","- C16 H4 F6 N2 S2 -","- C16 H4 F6 N2 S2 -","1","0.5","","Ando, Shinji; Kumaki, Daisuke; Nishida, Jun-ichi; Tada, Hirokazu; Inoue, Youji; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, physical properties and field-effect transistors of novel thiazolothiazole?phenylene co-oligomers","Journal of Materials Chemistry","2007","17","6","553","","10.1039/b611814c","","","0.7107","MoKα","","","0.0306","","","","0.0794","","","","","","0.904","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202480","5.92","0.01","7.46","0.01","39.81","0.07","90","","91.24","0.08","90","","1758","5","93.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 N2 S2 -","- C24 H14 N2 S2 -","- C96 H56 N8 S8 -","4","1","","Ando, Shinji; Kumaki, Daisuke; Nishida, Jun-ichi; Tada, Hirokazu; Inoue, Youji; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, physical properties and field-effect transistors of novel thiazolothiazole?phenylene co-oligomers","Journal of Materials Chemistry","2007","17","6","553","","10.1039/b611814c","","","0.7107","MoKα","","","0.1572","","","","0.4359","","","","","","1.58","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202481","38.84","0.03","7.001","0.005","13.023","0.009","90","","105.84","0.03","90","","3407","4","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 Cl2 Fe0.5 O S6 -","- C13 H6 Cl2 Fe0.5 O S6 -","- C104 H48 Cl16 Fe4 O8 S48 -","8","1","","Hiraoka, Takashi; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Kuribayashi, Akihiro; Ishida, Takekazu; Yokogawa, Keiichi; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko; Kimura, Shojiro; Hagiwara, Masayuki","Metal?semiconductor structural phase transitions and antiferromagnetic orderings in (Benzo-TTFVO)2?MX4 (M = Fe, Ga; X = Cl, Br) salts","Journal of Materials Chemistry","2007","17","17","1664","","10.1039/b612053a","","","0.7107","MoKα","","","0.06","","","","0.064","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202482","38.916","0.009","6.9981","0.0013","13.017","0.003","90","","105.893","0.002","90","","3409.5","1.3","293.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 Cl2 Ga0.5 O S6 -","- C13 H6 Cl2 Ga0.5 O S6 -","- C104 H48 Cl16 Ga4 O8 S48 -","8","1","","Hiraoka, Takashi; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Kuribayashi, Akihiro; Ishida, Takekazu; Yokogawa, Keiichi; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko; Kimura, Shojiro; Hagiwara, Masayuki","Metal?semiconductor structural phase transitions and antiferromagnetic orderings in (Benzo-TTFVO)2?MX4 (M = Fe, Ga; X = Cl, Br) salts","Journal of Materials Chemistry","2007","17","17","1664","","10.1039/b612053a","","","0.7107","MoKα","","","0.056","","","","0.046","","","","","","1.156","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202483","39.69","0.04","7.01","0.01","13.14","0.02","90","","105.27","0.04","90","","3527","8","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 Br2 Fe0.5 O S6 -","- C13 H6 Br2 Fe0.5 O S6 -","- C104 H48 Br16 Fe4 O8 S48 -","8","1","","Hiraoka, Takashi; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Kuribayashi, Akihiro; Ishida, Takekazu; Yokogawa, Keiichi; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko; Kimura, Shojiro; Hagiwara, Masayuki","Metal?semiconductor structural phase transitions and antiferromagnetic orderings in (Benzo-TTFVO)2?MX4 (M = Fe, Ga; X = Cl, Br) salts","Journal of Materials Chemistry","2007","17","17","1664","","10.1039/b612053a","","","0.7107","MoKα","","","0.045","","","","0.05","","","","","","0.804","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202484","39.48","0.002","6.9985","0.0003","13.1181","0.0008","90","","105.114","0.003","90","","3499.2","0.3","293.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 Br2 Ga0.5 O S6 -","- C13 H6 Br2 Ga0.5 O S6 -","- C104 H48 Br16 Ga4 O8 S48 -","8","1","","Hiraoka, Takashi; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Kuribayashi, Akihiro; Ishida, Takekazu; Yokogawa, Keiichi; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko; Kimura, Shojiro; Hagiwara, Masayuki","Metal?semiconductor structural phase transitions and antiferromagnetic orderings in (Benzo-TTFVO)2?MX4 (M = Fe, Ga; X = Cl, Br) salts","Journal of Materials Chemistry","2007","17","17","1664","","10.1039/b612053a","","","0.7107","MoKα","","","0.076","","","","0.073","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202485","13","0.02","6.908","0.008","20.11","0.03","99.86","0.05","105.13","0.03","89.97","0.06","1716","4","90","","","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H12 Br4 Fe O2 S12 -","- C26 H12 Br4 Fe O2 S12 -","- C52 H24 Br8 Fe2 O4 S24 -","2","1","","Hiraoka, Takashi; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Kuribayashi, Akihiro; Ishida, Takekazu; Yokogawa, Keiichi; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko; Kimura, Shojiro; Hagiwara, Masayuki","Metal?semiconductor structural phase transitions and antiferromagnetic orderings in (Benzo-TTFVO)2?MX4 (M = Fe, Ga; X = Cl, Br) salts","Journal of Materials Chemistry","2007","17","17","1664","","10.1039/b612053a","","","0.7107","MoKα","","","0.048","","","","0.061","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202486","21.5093","0.0005","29.6734","0.0008","36.0736","0.0009","90","","90","","90","","23024.1","1","290","2","290","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0573","0.0363","","","0.0979","0.1181","","","","","","1.055","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202487","21.4775","0.0005","29.6112","0.0007","36.0527","0.0009","90","","90","","90","","22928.6","1","270","2","270","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0527","0.0344","","","0.0924","0.1104","","","","","","1.067","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202488","21.4468","0.0005","29.5529","0.0007","36.0359","0.0009","90","","90","","90","","22840.1","0.9","250","2","250","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0492","0.0327","","","0.0878","0.1045","","","","","","1.076","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202489","21.4191","0.0005","29.4937","0.0007","36.0191","0.0009","90","","90","","90","","22754.3","0.9","230","2","230","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0456","0.0318","","","0.0848","0.0996","","","","","","1.075","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202490","21.3887","0.0006","29.4302","0.0008","35.989","0.001","90","","90","","90","","22654.1","1.1","210","2","210","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0418","0.0302","","","0.0809","0.0938","","","","","","1.067","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202491","21.3664","0.0007","29.3735","0.0009","35.975","0.0012","90","","90","","90","","22578.1","1.3","190","2","190","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0396","0.0296","","","0.0787","0.0902","","","","","","1.077","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202492","21.3434","0.0006","29.3178","0.0009","35.9441","0.0011","90","","90","","90","","22491.7","1.2","170","2","170","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0379","0.0292","","","0.073","0.0786","","","","","","1.074","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202493","23.1539","0.0007","21.3296","0.0007","23.1371","0.0008","90","","101.546","0.001","90","","11195.3","0.6","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0369","0.0309","","","0.0791","0.0879","","","","","","1.063","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202494","23.0935","0.0008","21.3176","0.0007","23.0731","0.0008","90","","101.442","0.001","90","","11133.1","0.7","130","2","130","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0382","0.0335","","","0.0863","0.0925","","","","","","1.041","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202495","23.0402","0.0008","21.3055","0.0007","23.011","0.0008","90","","101.31","0.001","90","","11076.4","0.7","110","2","110","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0324","0.029","","","0.0751","0.081","","","","","","1.044","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202496","22.9943","0.001","21.2963","0.0009","22.9549","0.0011","90","","101.218","0.002","90","","11026.1","0.9","90","2","90","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0298","0.027","","","0.071","0.0772","","","","","","1.043","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202497","22.9383","0.0011","21.2836","0.001","22.9242","0.0012","90","","101.227","0.002","90","","10977.6","0.9","70","2","70","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0448","0.0406","","","0.1082","0.1132","","","","","","1.042","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202498","22.9096","0.0011","21.2711","0.001","22.8969","0.0012","90","","101.206","0.002","90","","10945.2","0.9","50","2","50","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0439","0.0403","","","0.1077","0.1122","","","","","","1.053","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202499","22.8945","0.0011","21.2571","0.001","22.8707","0.0012","90","","101.148","0.002","90","","10920.5","0.9","30","2","30","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0437","0.0408","","","0.1096","0.1122","","","","","","1.041","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202500","22.845","0.008","21.263","0.007","22.907","0.008","90","","101.04","0.02","90","","10921","7","25","1","25","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0431","0.0424","","","0.1124","0.1135","","","","","","1.035","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202501","22.797","0.014","21.216","0.012","22.754","0.013","90","","100.51","0.03","90","","10821","11","12","1","12","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0384","0.0381","","","0.0988","0.0992","","","","","","1.131","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202502","11.91","0.02","13.05","0.02","18.42","0.04","94.85","0.06","97.12","0.06","94.57","0.06","2819","9","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 Ir N2 O2 -","- C35 H31 Ir N2 O2 -","- C140 H124 Ir4 N8 O8 -","4","2","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0273","","","","0.0899","","","","","","0.893","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202503","13.73","0.02","14","0.02","16.84","0.03","101.66","0.06","101.76","0.06","103.76","0.06","2969","8","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 Ir N2 O2 -","- C37 H35 Ir N2 O2 -","- C148 H140 Ir4 N8 O8 -","4","2","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0324","","","","0.1167","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202504","14.04","0.02","14.11","0.02","17.34","0.02","101.53","0.06","103.15","0.06","102.54","0.05","3151","7","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 Ir N2 O2 -","- C39 H39 Ir N2 O2 -","- C156 H156 Ir4 N8 O8 -","4","2","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0227","","","","0.0761","","","","","","0.914","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202505","9.89","0.01","11.24","0.01","11.79","0.01","68.15","0.03","87.5","0.04","70.81","0.03","1144.2","1.9","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Ir N2 O2 -","- C27 H31 Ir N2 O2 -","- C54 H62 Ir2 N4 O4 -","2","1","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0205","","","","0.0513","","","","","","0.804","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202506","15.87","0.02","20.7","0.02","24.37","0.03","90","","90","","90","","8006","16","93.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H43 Cl3 Ir N3 -","- C49 H43 Cl3 Ir N3 -","- C392 H344 Cl24 Ir8 N24 -","8","1","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0218","","","","0.0479","","","","","","0.8","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202507","11.09","0.01","12.19","0.02","13.86","0.02","82.93","0.05","78.73","0.04","88.53","0.05","1824","4","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 Ir N3 -","- C48 H36 Ir N3 -","- C96 H72 Ir2 N6 -","2","1","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0255","","","","0.0747","","","","","","0.918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202508","9.541","0.001","9.541","0.001","5.266","0.001","90","","90","","120","","415.14","0.1","293","2","293","2","","","","","","","synthesis as described","3","P 63","P 6c","173","alpha indium iodate","","","- I3 In O9 -","- I3 In O9 -","- I6 In2 O18 -","2","0.333333","","Phanon, Delphine; Mosset, Alain; Gautier-Luneau, Isabelle","New materials for infrared non-linear optics. Syntheses, structural characterisations, second harmonic generation and optical transparency of M(IO3)3 metallic iodates","Journal of Materials Chemistry","2007","17","11","1123","","10.1039/b612677d","","x-ray","0.56085","AgKa","","0.0275","0.0226","","","0.038","0.0391","","","","","","1.129","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202509","9.753","0.001","9.753","0.001","14.174","0.001","90","","90","","120","","1167.61","0.19","293","2","293","2","","","","","","","synthesis as described","3","R -3 :H","-R 3","148","beta indium iodate","","","- I3 In O9 -","- I3 In O9 -","- I18 In6 O54 -","6","0.333333","","Phanon, Delphine; Mosset, Alain; Gautier-Luneau, Isabelle","New materials for infrared non-linear optics. Syntheses, structural characterisations, second harmonic generation and optical transparency of M(IO3)3 metallic iodates","Journal of Materials Chemistry","2007","17","11","1123","","10.1039/b612677d","","x-ray","0.56085","AgKa","","0.0271","0.0229","","","0.0455","0.0468","","","","","","1.216","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202514","10.10786","0.00005","10.10786","","10.10786","","90","","90","","90","","1032.71","0.005","2","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","from C:/Gsas/Bob/pyro/Osmates/D2B/2K/2K.EXP","","","- O6 Os2 Rb -","- O6 Os2 Rb -","- O48 Os16 Rb8 -","8","0.0416667","","Galati, Rosa; Hughes, Robert W.; Knee, Christopher S.; Henry, Paul F.; Weller, Mark T.","The structure of superconducting RbOs2O6 between 2 K and 300 K","Journal of Materials Chemistry","2007","17","2","160","","10.1039/b613083f","powder diffraction","","","","","","","","","","","","","1","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202515","10.11393","0.00005","10.11393","","10.11393","","90","","90","","90","","1034.57","0.005","300","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","300K Fd3M","","","- O6 Os2 Rb -","- O6 Os2 Rb -","- O48 Os16 Rb8 -","8","0.0416667","","Galati, Rosa; Hughes, Robert W.; Knee, Christopher S.; Henry, Paul F.; Weller, Mark T.","The structure of superconducting RbOs2O6 between 2 K and 300 K","Journal of Materials Chemistry","2007","17","2","160","","10.1039/b613083f","powder diffraction","","","","","","","","","","","","","1.09","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202524","3.8496","0.0011","41.04","0.011","11.262","0.003","90","","95.59","0.004","90","","1770.8","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 N2 S5 -","- C20 H10 N2 S5 -","- C80 H40 N8 S20 -","4","1","","Berridge, Rory; Wright, Shaun P.; Skabara, Peter J.; Dyer, Aubrey; Steckler, Tim; Argun, Avni A.; Reynolds, John R.; Harrington, Ross W.; Clegg, William","Electrochromic properties of a fast switching, dual colour polythiophene bearing non-planar dithiinoquinoxaline units","Journal of Materials Chemistry","2007","17","3","225","","10.1039/b613879a","","","0.6896","synchrotron","","0.1155","0.09","","","0.1606","0.1683","","","","","","1.261","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202527","5.428","0.0019","5.4261","0.0018","16.6564","0.0017","90","","90","","90","","490.6","0.2","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Bi2NbO5F","","- Bi2 Nb O6 -","- Bi2 Nb O6 -","- Bi8 Nb4 O24 -","4","0.5","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202528","5.6059","0.0022","5.6059","","5.6059","","90","","90","","90","","176.17","0.07","295","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Bi2O3","","- Bi O1.5 -","- Bi O1.5 -","- Bi4 O6 -","4","0.0208333","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202529","5.7853","0.0023","5.7853","","5.7853","","90","","90","","90","","193.63","0.08","295","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","BiF3","","- Bi F3 -","- Bi F3 -","- Bi4 F12 -","4","0.0208333","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202530","5.427","0.0018","16.6584","0.0017","5.4282","0.0017","90","","90","","90","","490.7","0.2","295","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Bi2NbO5F","","- Bi2 Nb O6 -","- Bi2 Nb O6 -","- Bi8 Nb4 O24 -","4","1","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202531","5.604","0.0021","5.604","","5.604","","90","","90","","90","","175.99","0.07","295","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Bi2O3","","- Bi O1.5 -","- Bi O1.5 -","- Bi4 O6 -","4","0.0208333","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202532","5.7832","0.0023","5.7832","","5.7832","","90","","90","","90","","193.42","0.08","295","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","BiF3","","- Bi F3 -","- Bi F3 -","- Bi4 F12 -","4","0.0208333","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202533","5.4358","0.0001","15.623","0.0004","5.6075","0.0001","90","","90","","90","","476.209","0.017","","","293","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- Al1.07 Mn0.93 O5 Sr2 -","- Al1.07 Mn0.93 O5 Sr2 -","- Al4.28 Mn3.72 O20 Sr8 -","4","0.25","","Joke Hadermann; Artem M. Abakumov; Hans D'Hondt; Anna S. Kalyuzhnaya; Marina G. Rozova; Maria M. Markina; Mikhail G. Mikheev; Natalia Tristan; Rüdiger Klingeler; Bernd Büchner; Evgeny V. Antipov","Synthesis and crystal structure of the Sr2Al1.07Mn0.93O5 brownmillerite","Journal of Materials Chemistry","2007","17","7","692","","10.1039/b614168d","powder diffraction","","1.5406","X-ray","","0.037","0.0356","","","0.0213","0.0213","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202534","6.0627","0.0008","10.7122","0.0015","10.3872","0.0014","90","","97.956","0.002","90","","668.1","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Manganese oxalate-phosphite","","","- C3 H7 Mn N O5 P -","- C3 H7 Mn N O5 P -","- C12 H28 Mn4 N4 O20 P4 -","4","1","","Mandal, Sukhendu; Green, Mark A.; Pati, Swapan K.; Natarajan, Srinivasan","Synthesis, structure and magnetic properties of an inorganic?organic hybrid compound","Journal of Materials Chemistry","2007","17","10","980","","10.1039/b614186b","","","0.71073","MoKα","","0.0259","0.0247","","","0.0693","0.0699","","","","","","1.073","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202535","8.09","0.02","18.71","0.02","10.16","0.08","90","","90.091","0.019","90","","1538","13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N -","- C20 H17 N -","- C80 H68 N4 -","4","1","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71069","MoKα","","0.0717","0.0469","","","0.1133","0.1256","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202536","14.178","0.006","14.05","0.03","15.909","0.005","90","","93.62","0.03","90","","3163","7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H15 N S -","- C20 H15 N S -","- C160 H120 N8 S8 -","8","2","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71069","MoKα","","0.0687","0.0568","","","0.1631","0.1734","","","","","","1.061","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202537","16.19","0.04","7.739","0.01","23.46","0.03","90","","90","","90","","2939","9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N -","- C20 H15 N -","- C160 H120 N8 -","8","1","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71069","MoKα","","0.0562","0.0372","","","0.0919","0.1001","","","","","","1.082","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202538","8.616","0.01","9.832","0.01","38.95","0.07","90","","90","","90","","3300","8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H31 N3 -","- C44 H31 N3 -","- C176 H124 N12 -","4","1","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71069","MoKα","","0.046","0.0378","","","0.0928","0.0989","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202539","10.985","0.004","24.813","0.008","13.194","0.004","90","","110.149","0.007","90","","3376.2","1.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 N3 S2 -","- C44 H31 N3 S2 -","- C176 H124 N12 S8 -","4","1","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71073","MoKα","","0.3273","0.0609","","","0.111","0.1842","","","","","","0.611","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202540","3.89827","0.00002","3.89827","0.00002","7.8002","0.0001","90","","90","","90","","118.536","0.0017","973","","973","","","","","","","","","4","P 4/m m m","-P 4 2","123","LLTO","lithium lanthanum titanate","","- La0.567 Li0.3 O3 Ti -","- La0.5665 O3 Ti -","- La1.133 O6 Ti2 -","2","0.125","","Catti, Michele; Sommariva, Marco; Ibberson, Richard M.","Tetragonal superstructure and thermal history of Li0.3La0.567TiO3 (LLTO) solid electrolyte by neutron diffraction","Journal of Materials Chemistry","2007","17","13","1300","","10.1039/b614345h","powder diffraction","neutron","","Time-of-flightneutronbeam","","","","","","","","","8.8179","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202541","5.48162","0.00001","5.48162","0.00001","7.74646","0.00001","90","","90","","90","","232.767","0.0007","295","","295","","","","","","","","","4","P 4/n b m","-P 4a 2b","125","LLTO","lithium lanthanum titanate","","- La0.567 Li0.3 O3 Ti -","- La0.5675 Li0.3 O3 Ti -","- La2.27 Li1.2 O12 Ti4 -","4","","","Catti, Michele; Sommariva, Marco; Ibberson, Richard M.","Tetragonal superstructure and thermal history of Li0.3La0.567TiO3 (LLTO) solid electrolyte by neutron diffraction","Journal of Materials Chemistry","2007","17","13","1300","","10.1039/b614345h","powder diffraction","neutron","","Time-of-flight","","","","","","","","","2.6501","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202542","5.49921","0.00001","5.49921","0.00001","7.77237","0.00001","90","","90","","90","","235.047","0.0007","673","","673","","","","","","","","","4","P 4/n b m","-P 4a 2b","125","LLTO","lithium lanthanum titanate","","- La0.567 Li0.3 O3 Ti -","- La0.567 Li0.3 O3 Ti -","- La2.268 Li1.2 O12 Ti4 -","4","","","Catti, Michele; Sommariva, Marco; Ibberson, Richard M.","Tetragonal superstructure and thermal history of Li0.3La0.567TiO3 (LLTO) solid electrolyte by neutron diffraction","Journal of Materials Chemistry","2007","17","13","1300","","10.1039/b614345h","powder diffraction","neutron","","Time-of-flightneutronbeam","","","","","","","","","8.0825","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202543","5.50511","0.00001","5.50511","0.00001","7.78545","0.00001","90","","90","","90","","235.948","0.0007","823","","823","","","","","","","","","4","P 4/n b m","-P 4a 2b","125","LLTO","lithium lanthanum titanate","","- La0.567 Li0.3 O3 Ti -","- La0.567 Li0.3 O3 Ti -","- La2.268 Li1.2 O12 Ti4 -","4","","","Catti, Michele; Sommariva, Marco; Ibberson, Richard M.","Tetragonal superstructure and thermal history of Li0.3La0.567TiO3 (LLTO) solid electrolyte by neutron diffraction","Journal of Materials Chemistry","2007","17","13","1300","","10.1039/b614345h","powder diffraction","neutron","","Time-of-flightneutronbeam","","","","","","","","","3.8606","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202572","9.725","","9.725","","7.189","","90","","90","","120","","588.814","","","","300","","","","","","","","","3","P 63","P 6c","173","apatite","","","- La8.898 O25.96 Si6 -","- La8.898 O25.9602 Si6 -","- La8.898 O25.9602 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0179","0.0281","","","0.0283","0.0228","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202573","9.74","","9.74","","7.267","","90","","90","","120","","597.04","","","","","","","","","","","","","4","P 63","P 6c","173","Ba doped apatite","","","- Ba1.076 La8.924 O25.869 Si6 -","- La10 O25.87 Si6 -","- La10 O25.87 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0173","0.0161","","","0.0138","0.0225","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202574","9.705","","9.705","","7.215","","90","","90","","120","","588.516","","","","","","","","","","","","","4","P 63","P 6c","173","Sr doped apatite","","","- La8.898 O25.886 Si6 Sr -","- La9.9 O25.886 Si6 -","- La9.9 O25.886 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0173","0.0182","","","0.017","0.0218","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202575","9.68","","9.68","","7.161","","90","","90","","120","","581.106","","","","","","","","","","","","","4","P 63","P 6c","173","Ca doped apatite","","","- Ca1.258 La8.742 O25.879 Si6 -","- La10 O25.878 Si6 -","- La10 O25.878 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0175","0.0133","","","0.0141","0.0226","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202576","17.039","0.005","18.642","0.008","13.69","0.004","90","","90","","90","","4349","3","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 N2 O4 S3 -","- C20 H18 N2 O4 S3 -","- C160 H144 N16 O32 S24 -","8","1","","Marie Bourgeaux; Sergio Andrés Pérez Guarìn; W. G. Skene","Photophysical, crystallographic, and electrochemical characterization of novel conjugated thiopheno azomethines","Journal of Materials Chemistry","2007","17","10","972","","10.1039/b615325a","","","1.54178","CuKα","","0.1033","0.0397","","","0.0866","0.1019","","","","","","0.705","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202577","15.888","0.005","16.518","0.005","33.306","0.005","90","","90","","90","","8741","4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C43 H49 O16 P2 -","- C43 H46 O16 P2 -","- C344 H368 O128 P16 -","8","1","","Daly, Susan M.; Grassi, Michele; Shenoy, Devanand K.; Ugozzoli, Franco; Dalcanale, Enrico","Supramolecular surface plasmon resonance (SPR) sensors for organophosphorus vapor detection","Journal of Materials Chemistry","2007","17","18","1809","","10.1039/b615516b","","","0.71069","MoKα","","0.1029","0.0971","","","0.3308","0.3328","","","","","","1.525","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202578","16.509","0.003","24.993","0.005","15.729","0.004","95.057","0.003","90.314","0.004","81.317","0.004","6390","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C126 H182 O33 P4 -","- C126 H159 O33 P4 -","- C252 H318 O66 P8 -","2","1","","Daly, Susan M.; Grassi, Michele; Shenoy, Devanand K.; Ugozzoli, Franco; Dalcanale, Enrico","Supramolecular surface plasmon resonance (SPR) sensors for organophosphorus vapor detection","Journal of Materials Chemistry","2007","17","18","1809","","10.1039/b615516b","","","1.54184","CuKα","","0.1332","0.1066","","","0.3195","0.3598","","","","","","1.072","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202579","10.20109","0.00009","10.20109","0.00009","10.20109","0.00009","90","","90","","90","","1061.55","0.016","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","Dimercury(ii) Heptaoxodiruthenate(V)","Dimercury(II) Heptaoxodiruthenate(V)","","- Hg2 O7 Ru2 -","- Hg2 O7 Ru2 -","- Hg16 O56 Ru16 -","8","0.0416667","","Klein, Wilhelm; Kremer, Reinhard K.; Jansen, Martin","Hg2Ru2O7, a new pyrochlore showing a metal?insulator transition","Journal of Materials Chemistry","2007","17","14","1356","","10.1039/b615653c","","","0.71073","MoKα","","0.0283","0.0213","","","0.0483","0.0506","","","","","","1.429","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202587","10.0361","0.0001","11.1106","0.0001","14.0054","0.0001","96.0383","0.0007","90.759","0.0006","107.019","0.0005","1483.43","0.02","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H18 Cl F10 Ir N4 -","- C33.5 H18 Cl F10 Ir N4 -","- C67 H36 Cl2 F20 Ir2 N8 -","2","1","","Shih, Ping-I; Chien, Chen-Han; Chuang, Chu-Ying; Shu, Ching-Fong; Yang, Cheng-Han; Chen, Jian-Hong; Chi, Yun","Novel host material for highly efficient blue phosphorescent OLEDs","Journal of Materials Chemistry","2007","17","17","1692","","10.1039/b616043c","","","0.71073","MoKα","","0.0314","0.0275","","","0.0653","0.0696","","","","","","1.063","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202608","10.5863","0.0004","10.9741","0.0004","14.5969","0.0005","96.217","0.002","97.195","0.002","111.441","0.002","1544.06","0.1","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C28 H36 N4 O4 S3 -","- C28 H36 N4 O4 S3 -","- C56 H72 N8 O8 S6 -","2","1","","Stéphane Dufresne; Marie Bourgeaux; W. G. Skene","Tunable spectroscopic and electrochemical properties of conjugated push?push, push?pull and pull?pull thiopheno azomethines","Journal of Materials Chemistry","2007","17","12","1166","","10.1039/b616379c","","","1.54178","CuKα","","0.1354","0.1054","","","0.2912","0.3097","","","","","","1.192","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202610","12.6899","0.0013","18.2468","0.0018","18.7138","0.0018","68.885","0.001","88.916","0.002","71.552","0.001","3812.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(MeB(3-(Mes)Pz)3)CuCl.CH2Cl2","","","- C38 H44 B Cl3 Cu N6 -","- C38 H44 B Cl3 Cu N6 -","- C152 H176 B4 Cl12 Cu4 N24 -","4","2","","Rasika Dias, H. V.; Gamini Rajapakse, R. M.; Milan Krishantha, D. M.; Fianchini, Mauro; Wang, Xiaoyu; Elsenbaumer, Ronald L.","Eco-friendly synthesis of high-quality polyaniline using a copper(ii) scorpionate catalyst","Journal of Materials Chemistry","2007","17","18","1762","","10.1039/b616816g","","","0.71073","MoKα","","0.1098","0.061","","","0.1289","0.1529","","","","","","0.993","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202611","31.232","0.002","35.725","0.002","20.2073","0.001","90","","121.196","0.002","90","","19286.3","1.9","93.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C192 H288 Ce N16 S16 -","- C192 H288 Ce N16 S16 -","- C768 H1152 Ce4 N64 S64 -","4","1","","Nekelson, Fabien; Monobe, Hirosato; Shiro, Motoo; Shimizu, Yo","Liquid crystalline and charge transport properties of double-decker cerium phthalocyanine complexes","Journal of Materials Chemistry","2007","17","25","2607","","10.1039/b616848p","","","0.71075","MoKα","","","0.0731","","","","0.2033","","","","","","1.057","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202627","18.337","0.008","37.6","0.02","14.259","0.008","90","","91.11","0.02","90","","9829","9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C103.75 H105.25 N3 O14 -","- C94.704 H80.408 N3 O12.852 -","- C378.816 H321.632 N12 O51.408 -","4","0.5","","Lim, Young-Kwan; Jiang, Xuan; Bollinger, John C.; Lee, Dongwhan","Molecular engineering of two-dimensional ?-conjugation: expected and unexpected photophysical consequences of a simple particle-in-a-box approach","Journal of Materials Chemistry","2007","17","19","1969","","10.1039/b617353e","","","0.71073","MoKα","","0.1678","0.0968","","","0.2174","0.2539","","","","","","0.971","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202628","10.785","0.004","18.741","0.007","19.655","0.007","79.619","0.008","89.361","0.008","76.27","0.008","3794","2","129","2","129","2","","","","","","","","5","P -1","-P 1","2","","","","- C88.5 H80.25 Cl2.25 N3 O9 -","- C88.458 H80.215 Cl2.243 N3 O9 -","- C176.916 H160.43 Cl4.486 N6 O18 -","2","1","","Lim, Young-Kwan; Jiang, Xuan; Bollinger, John C.; Lee, Dongwhan","Molecular engineering of two-dimensional ?-conjugation: expected and unexpected photophysical consequences of a simple particle-in-a-box approach","Journal of Materials Chemistry","2007","17","19","1969","","10.1039/b617353e","","","0.71073","MoKα","","0.1586","0.0776","","","0.1701","0.2099","","","","","","1.081","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202631","21.761","0.01","15.819","0.007","17.876","0.008","90","","97.911","0.005","90","","6095","5","93.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H66 Cl2 Mn2 N12 Ni O14 -","- C60 H66 Cl2 Mn2 N12 Ni O14 -","- C240 H264 Cl8 Mn8 N48 Ni4 O56 -","4","0.5","","Ayumi Saitoh; Hitoshi Miyasaka; Masahiro Yamashita; Rodolphe Clérac","Direct evidence of exchange interaction dependence of magnetization relaxation in a family of ferromagnetic-type single-chain magnets","Journal of Materials Chemistry","2007","17","19","2002","","10.1039/b617493k","","","0.7107","MoKα","","","0.0709","","","","0.1725","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202632","21.848","0.006","16.041","0.004","18.444","0.005","90","","98.856","0.005","90","","6387","3","93.1","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H66 F12 Mn2 N12 Ni O6 P2 -","- C60 H66 F12 Mn2 N12 Ni O6 P2 -","- C240 H264 F48 Mn8 N48 Ni4 O24 P8 -","4","0.5","","Ayumi Saitoh; Hitoshi Miyasaka; Masahiro Yamashita; Rodolphe Clérac","Direct evidence of exchange interaction dependence of magnetization relaxation in a family of ferromagnetic-type single-chain magnets","Journal of Materials Chemistry","2007","17","19","2002","","10.1039/b617493k","","","0.7107","MoKα","","","0.0507","","","","0.1066","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202633","21.992","0.01","16.141","0.007","17.831","0.008","90","","98.103","0.005","90","","6266","5","93.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 Cl2 Mn2 N12 Ni O14 -","- C62 H70 Cl2 Mn2 N12 Ni O14 -","- C248 H280 Cl8 Mn8 N48 Ni4 O56 -","4","0.5","","Ayumi Saitoh; Hitoshi Miyasaka; Masahiro Yamashita; Rodolphe Clérac","Direct evidence of exchange interaction dependence of magnetization relaxation in a family of ferromagnetic-type single-chain magnets","Journal of Materials Chemistry","2007","17","19","2002","","10.1039/b617493k","","","0.7107","MoKα","","","0.0601","","","","0.1296","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202634","16.96","0.017","10.715","0.011","16.298","0.017","90","","107.737","0.013","90","","2821","5","93.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.64 H28.64 Cl1.92 N8 Ni O4 -","- C25.22 H22 Cl1.94 N8 Ni O4 -","- C100.88 H88 Cl7.76 N32 Ni4 O16 -","4","0.5","","Ayumi Saitoh; Hitoshi Miyasaka; Masahiro Yamashita; Rodolphe Clérac","Direct evidence of exchange interaction dependence of magnetization relaxation in a family of ferromagnetic-type single-chain magnets","Journal of Materials Chemistry","2007","17","19","2002","","10.1039/b617493k","","","0.7107","MoKα","","","0.0625","","","","0.121","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202635","14.0604","0.0005","10.7206","0.0019","27.612","0.003","90","","90","","90","","4162.1","0.9","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46 H42 N4 O12 -","- C46 H42 N4 O12 -","- C184 H168 N16 O48 -","4","1","","Seyler, Helga; Berger-Nicoletti, Elena; Kilbinger, Andreas F. M.","Rod?coil copolymers from oligo(p-benzamide) foldamers","Journal of Materials Chemistry","2007","17","19","1954","","10.1039/b617598h","","","1.54178","CuKα","","0.2332","0.0878","","","0.193","0.2513","","","","","","0.983","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202638","16.31134","0.00085","16.31134","0.00085","16.31134","0.00085","90","","90","","90","","4339.8","0.4","298","","298","","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii) bisaquo","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii) bisaquo","","- C8 H8 F2 N4 O4 Pd -","- C12 H8 F2 N8 O6 Pd -","- C144 H96 F24 N96 O72 Pd12 -","12","0.25","","Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi; Conchi O. Ania; José B. Parra","Borderline microporous?ultramicroporous palladium(ii) coordination polymer networks. Effect of pore functionalisation on gas adsorption properties","Journal of Materials Chemistry","2007","17","19","1939","","10.1039/b617698d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.712","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202639","16.29569","0.00084","16.29569","0.00084","16.29569","0.00084","90","","90","","90","","4327.3","0.4","400","","400","","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii)","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii)","","- C8 H4 F2 N4 O2 Pd -","- C12 H8 F2 N8 O2 Pd -","- C144 H96 F24 N96 O24 Pd12 -","12","0.25","","Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi; Conchi O. Ania; José B. Parra","Borderline microporous?ultramicroporous palladium(ii) coordination polymer networks. Effect of pore functionalisation on gas adsorption properties","Journal of Materials Chemistry","2007","17","19","1939","","10.1039/b617698d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","5.025","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202641","32.777","0.002","24.737","0.002","23.235","0.002","90","","111.181","0.003","90","","17566","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H147 Ag3 N12 O110 P2 W24 -","- C48 H101.4 Ag3 N12 O108.2 P2 W23.4 -","- C192 H405.6 Ag12 N48 O432.8 P8 W93.6 -","4","0.5","","Song, Yu-Fei; Abbas, Hamera; Ritchie, Chris; McMillian, Nicola; Long, De-Liang; Gadegaard, Nikolaj; Cronin, Leroy","From polyoxometalate building blocks to polymers and materials: the silver connection","Journal of Materials Chemistry","2007","17","19","1903","","10.1039/b617830h","","","0.71073","MoKα","","0.1121","0.058","","","0.1402","0.1787","","","","","","1.014","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202642","10.8053","0.0003","11.1381","0.0003","13.3396","0.0003","97.2","0.002","113.487","0.001","108.774","0.001","1333.3","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Compound ha003","","","- C16 H48 Ag4 Mo8 O34 S8 -","- C16 H48 Ag4 Mo8 O34 S8 -","- C16 H48 Ag4 Mo8 O34 S8 -","1","0.5","","Song, Yu-Fei; Abbas, Hamera; Ritchie, Chris; McMillian, Nicola; Long, De-Liang; Gadegaard, Nikolaj; Cronin, Leroy","From polyoxometalate building blocks to polymers and materials: the silver connection","Journal of Materials Chemistry","2007","17","19","1903","","10.1039/b617830h","","","0.71073","MoKα","","0.0307","0.0249","","","0.0575","0.06","","","","","","1.068","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202643","11.9401","0.0003","38.3746","0.001","12.8124","0.0003","90","","94.095","0.002","90","","5855.6","0.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Compound ys16401d","","","- C24 H64 Ag3 Mn Mo6 N2 O32 S8 -","- C24 H64 Ag3 Mn Mo6 N2 O32 S8 -","- C96 H256 Ag12 Mn4 Mo24 N8 O128 S32 -","4","1","","Song, Yu-Fei; Abbas, Hamera; Ritchie, Chris; McMillian, Nicola; Long, De-Liang; Gadegaard, Nikolaj; Cronin, Leroy","From polyoxometalate building blocks to polymers and materials: the silver connection","Journal of Materials Chemistry","2007","17","19","1903","","10.1039/b617830h","","","0.71073","MoKα","","0.0759","0.0444","","","0.0843","0.0948","","","","","","1.029","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202644","11.984","0.004","37.696","0.01","13.122","0.004","90","","97.158","0.015","90","","5882","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H64 Ag3 Mn Mo6 N4 O31 S7 -","- C25.5 H46 Ag3 Mn Mo6 N4 O31 S6.65 -","- C102 H184 Ag12 Mn4 Mo24 N16 O124 S26.6 -","4","1","","Song, Yu-Fei; Abbas, Hamera; Ritchie, Chris; McMillian, Nicola; Long, De-Liang; Gadegaard, Nikolaj; Cronin, Leroy","From polyoxometalate building blocks to polymers and materials: the silver connection","Journal of Materials Chemistry","2007","17","19","1903","","10.1039/b617830h","","","0.71073","MoKα","","0.1297","0.0664","","","0.127","0.1531","","","","","","1.042","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202657","13.568","0.0009","14.907","0.001","24.0773","0.0018","76.898","0.003","74.505","0.002","77.736","0.002","4510.4","0.5","","","","","","","","","","","","3","P -1","-P 1","2","","","","?","- C114 H156 N4 -","- C114 H156 N4 -","","","","Sergio Andrés Pérez Guarìn; Stéphane Dufresne; Derek Tsang; Assa Sylla; W. G. Skene","Photophysical, electrochemical, and crystallographic investigation of conjugated fluoreno azomethines and their precursors","Journal of Materials Chemistry","2007","17","27","2801","","10.1039/b618098a","","","","","","","","","","","","","","","","","","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202658","8.5576","0.0006","9.1964","0.0007","10.2811","0.0007","79.739","0.001","74.878","0.001","65.164","0.001","706.68","0.09","293","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H15 N7 -","- C15 H15 N7 -","- C30 H30 N14 -","2","1","","Butler, Roslyn S.; Myers, Andrea K.; Bellarmine, Prabhu; Abboud, Khalil A.; Castellano, Ronald K.","Highly fluorescent donor?acceptor purines","Journal of Materials Chemistry","2007","17","19","1863","","10.1039/b618171f","","","0.71073","MoKα","","0.045","0.0383","","","0.1027","0.1065","","","","","","1.032","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202659","10.0863","0.0008","8.6914","0.0007","16.9812","0.0014","90","","98.137","0.002","90","","1473.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N7 -","- C15 H15 N7 -","- C60 H60 N28 -","4","1","","Butler, Roslyn S.; Myers, Andrea K.; Bellarmine, Prabhu; Abboud, Khalil A.; Castellano, Ronald K.","Highly fluorescent donor?acceptor purines","Journal of Materials Chemistry","2007","17","19","1863","","10.1039/b618171f","","","0.71073","MoKα","","0.0569","0.0475","","","0.12","0.1269","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202660","7.3178","0.0014","10.551","0.002","20.587","0.004","90","","90","","90","","1589.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 B N2 O2 -","- C15 H21 B N2 O2 -","- C60 H84 B4 N8 O8 -","4","1","","Tan, Wei; Zhang, Deqing; Wang, Zhuo; Liu, Caiming; Zhu, Daoben","4-(N,N-Dimethylamine)benzonitrile (DMABN) derivatives with boronic acid and boronate groups: new fluorescent sensors for saccharides and fluoride ion","Journal of Materials Chemistry","2007","17","19","1964","","10.1039/b618183j","","","0.71073","MoKα","","0.09","0.0701","","","0.157","0.1682","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202675","10.3021","0.0004","20.0384","0.0011","35.1923","0.0009","90","","92.693","0.0007","90","","7257","0.5","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.43 H40 Fe N O13 S32 -","- C51.44 H37 Fe N O13 S32 -","- C205.76 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0851","","","","0.0613","","","","","","1.099","","","","has coordinates","275107","2022-05-06","15:04:04",""
"7202676","10.3031","0.001","20.0498","0.0007","35.1933","0.0007","90","","92.6869","0.0004","90","","7262.1","0.8","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.45 H40 Fe N O13 S32 -","- C51.46 H37 Fe N O13 S32 -","- C205.84 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0698","","","","0.0587","","","","","","1.073","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202677","10.3012","0.0003","20.08","0.0011","35.2191","0.0008","90","","92.6379","0.0004","90","","7277.3","0.5","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.67 H40 Fe N O13 S32 -","- C51.68 H37 Fe N O13 S32 -","- C206.72 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0726","","","","0.0612","","","","","","1.122","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202678","10.296","0.0008","20.064","0.003","35.1951","0.0008","90","","92.696","0.0005","90","","7262.5","1.2","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.76 H40 Fe N O13 S32 -","- C51.76 H37 Fe N O13 S32 -","- C207.04 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0788","","","","0.0731","","","","","","1.113","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202679","10.291","0.003","20.073","0.017","35.242","0.017","90","","92.641","0.016","90","","7272","7","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.86 H40 Fe N O13 S32 -","- C51.86 H37 Fe N O13 S32 -","- C207.44 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0518","","","","0.0608","","","","","","1.031","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202680","10.2904","0.001","20.09","0.003","35.207","0.003","90","","92.663","0.003","90","","7270.6","1.4","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.08 H40 Fe N O13 S32 -","- C52.08 H37 Fe N O13 S32 -","- C208.32 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0798","","","","0.0606","","","","","","1.134","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202681","10.2911","0.0016","20.1062","0.0016","35.2174","0.0009","90","","92.6683","0.0006","90","","7279.1","1.3","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.21 H40 Fe N O13 S32 -","- C52.22 H37 Fe N O13 S32 -","- C208.88 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0659","","","","0.0629","","","","","","1.056","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202682","10.2747","0.0009","20.1509","0.0013","35.2218","0.0008","90","","92.6684","0.0005","90","","7284.6","0.8","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.81 H45 Fe N O12 S32 -","- C52.808 H37 Fe N O13 S32 -","- C211.232 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0467","","","","0.0552","","","","","","1.059","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202726","9.242","0.004","5.718","0.0011","18.205","0.006","90","","100.06","0.03","90","","947.3","0.6","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","","- C24 H22 S2 -","- C24 H22 S2 -","- C48 H44 S4 -","2","0.5","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","0.71073","MoKα","","0.1888","0.0418","","0.1943","0.0826","0.1943","","","","","","0.9467","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202727","5.558","0.003","7.665","0.004","37.188","0.025","90","","90","","90","","1584.3","1.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5,5'-bis(4-hydroxyphenyl)-2,2'-bithiophene","5,5'-bis(4-hydroxyphenyl)-2,2'-bithiophene","","- C20 H14 O2 S2 -","- C80 H56 O8 S8 -","- C80 H56 O8 S8 -","","","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","1.2084","synchrotron","","","","","","","","","","","","","","","","","has coordinates","277887","2022-09-15","15:15:13",""
"7202728","33.056","0.022","7.485","0.004","5.876","0.003","90","","96.16","0.03","90","","1445.5","1.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","5,5'-bis-4-(6-hydroxyhexyloxy)-phenyl-2,2'-bithiophene","5,5'-bis-4-(6-hydroxyhexyloxy)-phenyl-2,2'-bithiophene","","- C32 H38 O4 S2 -","- C64 H76 O8 S4 -","- C64 H76 O8 S4 -","","","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","1.2084","synchrotron","","","","","","","","","","","","","","","","","has coordinates","277887","2022-09-15","15:15:13",""
"7202729","9.109","0.002","5.7272","0.0007","18.159","0.004","90","","101.54","0.02","90","","928.2","0.3","120","","120","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","","- C24 H22 S2 -","- C24 H22 S2 -","- C48 H44 S4 -","2","0.5","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","0.71073","MoKα","","0.171","0.0824","","0.342","0.0505","0.0505","","","","","","1.0829","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202742","3.7587","0.0014","3.759","0.002","13.007","0.004","90","","90","0.05","90","","183.78","0.13","","","293","","","","","","","","","4","I 4/m m m","","","","","","- Cu La1.111 O3.506 Sr0.889 -","- Cu La1.1576 O3.4776 Sr0.8422 -","- Cu2 La2.3152 O6.9552 Sr1.6844 -","2","0.0625","","Joke Hadermann; Olivier Pérez; Nicolas Créon; Claude Michel; Maryvonne Hervieu","The (3 + 2)D structure of oxygen deficient LaSrCuO3.52","Journal of Materials Chemistry","2007","17","22","2344","","10.1039/b701449j","powder diffraction","neutron","1.225","neutron","","0.0368","0.0329","","","0.0355","0.0362","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202788","4.7566","0.0012","6.225","0.002","10.116","0.017","72.97","0.06","85.49","0.08","80.83","0.03","282.6","0.5","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","1","1","","Erik Schwartz; Heather J. Kitto; René de Gelder; Roeland J. M. Nolte; Alan E. Rowan; Jeroen J. L. M. Cornelissen","Synthesis, characterisation and chiroptical properties of ?click?able polyisocyanopeptides","Journal of Materials Chemistry","2007","17","19","1876","","10.1039/b701922j","","","0.71073","MoKα","","0.1154","0.0698","","0.1591","0.1399","0.1591","","","1.026","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202822","12.6196","0.0018","17.378","0.002","26.551","0.004","90.019","0.01","98.764","0.011","92.938","0.01","5747","1.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Dr. S. G. Carling/Dr. L. Martin","","","- C138 H120 Fe8 Na18 O120 S72 -","- C138 H120 Fe8 Na18 O120 S72 -","- C138 H120 Fe8 Na18 O120 S72 -","1","0.5","","Martin, Lee; Day, Peter; Clegg, William; Harrington, Ross W.; Horton, Peter N.; Bingham, Ann; Hursthouse, Michael B.; McMillan, Paul; Firth, Steven","Multi-layered molecular charge-transfer salts containing alkali metal ions","Journal of Materials Chemistry","2007","17","31","3324","","10.1039/b702442h","","","0.71073","MoKα","","0.2117","0.1026","","","0.1685","0.2079","","","","","","1.063","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202823","32.9933","0.0011","11.0441","0.0004","20.7262","0.0007","90","","104.622","0.001","90","","7307.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H68 Fe K1.5 O27 S20 -","- C49 H56 Fe K1.5 O27 S20 -","- C196 H224 Fe4 K6 O108 S80 -","4","1","","Martin, Lee; Day, Peter; Clegg, William; Harrington, Ross W.; Horton, Peter N.; Bingham, Ann; Hursthouse, Michael B.; McMillan, Paul; Firth, Steven","Multi-layered molecular charge-transfer salts containing alkali metal ions","Journal of Materials Chemistry","2007","17","31","3324","","10.1039/b702442h","","","0.6712","synchrotron","","0.0596","0.0424","","","0.1037","0.1126","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202838","15.5151","0.001","26.5664","0.0015","21.5476","0.001","90","","94.433","0.001","90","","8854.9","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H152 O72 S28 Zr12 -","- C84 H112 O72 S28 Zr12 -","- C168 H224 O144 S56 Zr24 -","2","0.5","","Faccini, Francesco; Fric, Helmut; Schubert, Ulrich; Wendel, Eric; Tsetsgee, Otgontuul; Müller, Klaus; Bertagnolli, Helmut; Venzo, Alfonso; Gross, Silvia","ω-Mercapto-functionalized hafnium- and zirconium-oxoclusters as nanosized building blocks for inorganic‒organic hybrid materials: synthesis, characterization and photothiol-ene polymerization","Journal of Materials Chemistry","2007","17","31","3297","","10.1039/b702714a","","","0.71073","MoKα","","0.1759","0.1451","","","0.4083","0.4349","","","","","","1.737","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202839","27.422","0.0012","26.4804","0.0011","25.5136","0.0011","90","","108.486","0.001","90","","17570.6","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H158 Hf12 O74 S29 -","- C87 H116 Hf12 O74 S29 -","- C348 H464 Hf48 O296 S116 -","4","1","","Faccini, Francesco; Fric, Helmut; Schubert, Ulrich; Wendel, Eric; Tsetsgee, Otgontuul; Müller, Klaus; Bertagnolli, Helmut; Venzo, Alfonso; Gross, Silvia","ω-Mercapto-functionalized hafnium- and zirconium-oxoclusters as nanosized building blocks for inorganic‒organic hybrid materials: synthesis, characterization and photothiol-ene polymerization","Journal of Materials Chemistry","2007","17","31","3297","","10.1039/b702714a","","","0.71073","MoKα","","0.0798","0.0647","","","0.1719","0.1803","","","","","","1.024","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202858","7.53","0.0015","12.173","0.002","40.996","0.008","90","","90","","90","","3757.8","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-3, 4-dicyanophenoxy-4'-dimethylaminoazobenzene(CPMAB)","4-3, 4-dicyanophenoxy-4'-dimethylaminoazobenzene(CPMAB)","","- C22 H17 N5 O -","- C22 H17 N5 O -","- C176 H136 N40 O8 -","8","1","","Hu, Junping; Li, Yingfeng; Ji, Zhuoyu; Jiang, Guiyuan; Yang, Lianming; Hu, Wenping; Gao, Hongjun; Jiang, Lei; Wen, Yongqiang; Song, Yanlin; Zhu, Daoben","A non-planar organic molecule with non-volatile electrical bistability for nano-scale data storage","Journal of Materials Chemistry","2007","17","33","3530","","10.1039/b703332j","","","0.71073","MoKα","","0.0939","0.0476","","","0.1148","0.1331","","","","","","0.96","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202871","10.215","0.001","10.697","0.001","10.722","0.001","67.49","0.01","89.98","0.01","68.65","0.01","994.8","0.2","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","(NH3(CH2)4NH3)La(hedpH)(hedpH2)","","","- C8 H25 La N2 O14 P4 -","- C8 H25 La N2 O14 P4 -","- C16 H50 La2 N4 O28 P8 -","2","1","","Liu, Feng-Yi; Roces, Laura; Sa Ferreira, Rute A.; García-Granda, Santiago; García, José R.; Carlos, Luis D.; Rocha, João","Crystal structure and photoluminescence properties of lanthanide diphosphonates","Journal of Materials Chemistry","2007","17","35","3696","","10.1039/b703487c","","x-ray","1.54184","CuKα","","0.0501","0.0498","","","0.1358","0.1363","","","","","","1.068","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202872","28.817","0.005","14.767","0.002","29.597","0.005","90","","103.763","0.004","90","","12233","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H73 Mo3 N8 O0.5 S16 -","- C38 H72 Mo3 N8 O0.5 S16 -","- C304 H576 Mo24 N64 O4 S128 -","8","1","","Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos","Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)","Journal of Materials Chemistry","2007","17","32","3440","","10.1039/b703551a","","","0.71073","MoKα","","0.1309","0.0573","","","0.1265","0.1599","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202873","14.4374","0.0006","21.6924","0.0009","17.2853","0.0007","90","","103.744","0.001","90","","5258.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Mo3 N6 S32 -","- C26 H16 Mo3 N6 S32 -","- C104 H64 Mo12 N24 S128 -","4","1","","Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos","Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)","Journal of Materials Chemistry","2007","17","32","3440","","10.1039/b703551a","","","0.71073","MoKα","","0.0469","0.027","","","0.0748","0.0859","","","","","","0.988","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202874","12.903","0.007","13.733","0.008","17.658","0.011","92.982","0.015","109.882","0.014","117.707","0.013","2521","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H44 Br6 Mo3 N S12 Se3 -","- C26 H8 Br6 Mo3 N S12 Se3 -","- C52 H16 Br12 Mo6 N2 S24 Se6 -","2","1","","Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos","Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)","Journal of Materials Chemistry","2007","17","32","3440","","10.1039/b703551a","","","0.71073","MoKα","","0.1883","0.0751","","","0.1686","0.236","","","","","","1.005","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202875","10.0467","0.001","11.3217","0.0012","14.8607","0.0015","105.133","0.002","92.035","0.002","99.297","0.003","1604.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cl6 Mo3 N S15 -","- C12 H8 Cl6 Mo3 N S15 -","- C24 H16 Cl12 Mo6 N2 S30 -","2","1","","Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos","Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)","Journal of Materials Chemistry","2007","17","32","3440","","10.1039/b703551a","","","0.71073","MoKα","","0.1135","0.0589","","","0.1058","0.1147","","","","","","0.948","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202876","11.8603","0.0009","17.3577","0.0013","20.8821","0.0015","69.39","0.002","88.139","0.002","73.734","0.002","3852.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 Cl6.5 Mo3 N S39 -","- C42 H32 Cl6.5 Mo3 N S39 -","- C84 H64 Cl13 Mo6 N2 S78 -","2","1","","Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos","Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)","Journal of Materials Chemistry","2007","17","32","3440","","10.1039/b703551a","","","0.71073","MoKα","","0.1759","0.0655","","","0.1124","0.1549","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202878","7.2695","0.0009","7.2695","0.0009","28.268","0.005","90","","90","","90","","1493.8","0.4","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C32 H10 Cu6.44 N32 O5 W4 -","- C16 Cu3.22 N16 O2.5 W2 -","- C32 Cu6.44 N32 O5 W4 -","2","0.0625","","Podgajny, Robert; Chmel, Nikola Paul; Bałanda, Maria; Tracz, Piotr; Gaweł, Bartłomiej; Zając, Dariusz; Sikora, Marcin; Kapusta, Czesław; Łasocha, Wiesław; Wasiutyński, Tadeusz; Sieklucka, Barbara","Exploring the formation of 3D ferromagnetic cyano-bridged CuII2+x{CuII4[WV(CN)8]4‒2x[WIV(CN)8]2x}·yH2O networks","Journal of Materials Chemistry","2007","17","31","3308","","10.1039/b703640j","powder diffraction","","1.54178","CuKα","","0.0251","0.0251","","","0.0249","0.0249","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202879","7.2858","0.0009","7.2858","0.0009","28.282","0.005","90","","90","","90","","1501.3","0.4","","","273","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C32 H8 Cu6.94 N32 O4 W4 -","- C16 Cu3.468 N16 O2 W2 -","- C32 Cu6.936 N32 O4 W4 -","2","0.0625","","Podgajny, Robert; Chmel, Nikola Paul; Bałanda, Maria; Tracz, Piotr; Gaweł, Bartłomiej; Zając, Dariusz; Sikora, Marcin; Kapusta, Czesław; Łasocha, Wiesław; Wasiutyński, Tadeusz; Sieklucka, Barbara","Exploring the formation of 3D ferromagnetic cyano-bridged CuII2+x{CuII4[WV(CN)8]4‒2x[WIV(CN)8]2x}·yH2O networks","Journal of Materials Chemistry","2007","17","31","3308","","10.1039/b703640j","powder diffraction","x-ray","1.54178","CuKα","","0.0525","0.0525","","","0.0436","0.0436","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202880","15.244","0.005","15.244","0.005","16.059","0.005","90","0.005","90","0.005","120","0.005","3231.8","1.8","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H18 N4 -","- C27 H18 N4 -","- C162 H108 N24 -","6","0.333333","","Tian, Yu-Peng; Li, Lin; Zhang, Ju-Zhou; Yang, Jia-Xiang; Zhou, Hong-ping; Wu, Jie-ying; Sun, Ping-ping; Tao, Li-min; Guo, Ya-hui; Wang, Chuan-Kui; Xing, Hui; Huang, Wen-hao; Tao, Xu-Tang; Jiang, Min-Hua","Investigations and facile synthesis of a series of novel multi-functional two-photon absorption materials","Journal of Materials Chemistry","2007","17","34","3646","","10.1039/b703853d","","","0.71069","MoKα","","0.1803","0.0757","","","0.183","0.2335","","","","","","0.939","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202889","17.505","0.0007","19.432","0.0015","24.759","0.0018","90","","90","","90","","8422","1","295","2","295","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C144 H38 N4 S8 -","- C144 H38 N4 S8 -","- C576 H152 N16 S32 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N.","Dimerization of C60˙‒ in multi-component ionic complexes with bis(ethylenedithio)tetrathiafulvalene: (cation+)2·ET·(C60˙‒)2","Journal of Materials Chemistry","2007","17","39","4171","","10.1039/b704371f","","","0.71073","MoKα","","0.1132","0.0706","","","0.1776","0.205","","","","","","0.972","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202890","17.218","0.0004","19.362","0.0009","24.373","0.0012","90","","90","","90","","8125.3","0.6","100","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C144 H38 N4 S8 -","- C144 H38 N4 S8 -","- C576 H152 N16 S32 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N.","Dimerization of C60˙‒ in multi-component ionic complexes with bis(ethylenedithio)tetrathiafulvalene: (cation+)2·ET·(C60˙‒)2","Journal of Materials Chemistry","2007","17","39","4171","","10.1039/b704371f","","","0.71073","MoKα","","0.1417","0.1142","","","0.3194","0.3478","","","","","","1.393","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202901","8.956","0.0006","12.0233","0.0009","19.2448","0.0014","83.695","0.002","87.711","0.002","73.878","0.002","1978.7","0.2","100","1","100","1","","","","","","","","7","P -1","-P 1","2","Mn (1-(5-ethoxy-2-(4-nitrophenyl)thiazoyl)-2-(4-methyl-2-(2- pyridyl)thiazoyl) perfluorocyclopentene) (hfac)2","Mn [1-[5-ethoxy-2-(4-nitrophenyl)thiazoyl]-2-[4-methyl-2-(2-pyridyl)thiazoyl] perfluorocyclopentene] (hfac)2","","- C35 H18 F18 Mn N4 O7 S2 -","- C35 H18 F18 Mn N4 O7 S2 -","- C70 H36 F36 Mn2 N8 O14 S4 -","2","1","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Lacroix, Pascal G.; Nakatani, Keitaro; Pansu, Robert; Maurel, François","Dithiazolylethene-based molecular switches for nonlinear optical properties and fluorescence: synthesis, crystal structure and ligating properties","Journal of Materials Chemistry","2007","17","41","4414","","10.1039/b704806h","","x-ray","0.71073","MoKα","","0.0845","0.0467","","","0.1054","0.118","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202902","7.9782","0.0007","12.8551","0.001","23.714","0.002","90","","92.789","0.004","90","","2429.2","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(5-ethoxy-2-(4-nitrophenyl)thiazoyl)-2-(4-methyl-2-(2- pyridyl)thiazoyl) perfluorocyclopentene","1-[5-ethoxy-2-(4-nitrophenyl)thiazoyl]-2-[4-methyl-2-(2-pyridyl)thiazoyl] perfluorocyclopentene","","- C25 H16 F6 N4 O3 S2 -","- C25 H16 F6 N4 O3 S2 -","- C100 H64 F24 N16 O12 S8 -","4","1","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Lacroix, Pascal G.; Nakatani, Keitaro; Pansu, Robert; Maurel, François","Dithiazolylethene-based molecular switches for nonlinear optical properties and fluorescence: synthesis, crystal structure and ligating properties","Journal of Materials Chemistry","2007","17","41","4414","","10.1039/b704806h","","x-ray","0.71073","MoKα","","0.0558","0.0431","","","0.1071","0.1144","","","","","","1.071","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202903","8.946","0.005","11.774","0.005","19.493","0.005","92.804","0.005","91.091","0.005","105.202","0.005","1977.9","1.5","100","1","100","1","","","","","","","","7","P -1","-P 1","2","Cu (1-(5-ethoxy-2-(4-nitrophenyl)thiazoyl)-2-(4-methyl-2-(2- pyridyl)thiazoyl) perfluorocyclopentene) (hfac)2","Cu [1-[5-ethoxy-2-(4-nitrophenyl)thiazoyl]-2-[4-methyl-2-(2-pyridyl)thiazoyl] perfluorocyclopentene] (hfac)2","","- C35 H18 Cu F18 N4 O7 S2 -","- C35 H18 Cu F18 N4 O7 S2 -","- C70 H36 Cu2 F36 N8 O14 S4 -","2","1","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Lacroix, Pascal G.; Nakatani, Keitaro; Pansu, Robert; Maurel, François","Dithiazolylethene-based molecular switches for nonlinear optical properties and fluorescence: synthesis, crystal structure and ligating properties","Journal of Materials Chemistry","2007","17","41","4414","","10.1039/b704806h","","x-ray","0.71069","MoKα","","0.0636","0.0387","","","0.0927","0.1033","","","","","","0.995","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202904","25.685","0.005","14.069","0.005","16.562","0.005","90","","114.662","0.005","90","","5439","3","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Ag (1-(5-ethoxy-2-(4-nitrophenyl)thiazoyl)-2-(4-methyl-2-(2- pyridyl)thiazoyl) perfluorocyclopentene)2 (CF3SO3)2","Ag [1-[5-ethoxy-2-(4-nitrophenyl)thiazoyl]-2-[4-methyl-2-(2-pyridyl)thiazoyl] perfluorocyclopentene]2 (CF3SO3)2","","- C51 H32 Ag F15 N8 O9 S5 -","- C51 H32 Ag F15 N8 O9 S5 -","- C204 H128 Ag4 F60 N32 O36 S20 -","4","0.5","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Lacroix, Pascal G.; Nakatani, Keitaro; Pansu, Robert; Maurel, François","Dithiazolylethene-based molecular switches for nonlinear optical properties and fluorescence: synthesis, crystal structure and ligating properties","Journal of Materials Chemistry","2007","17","41","4414","","10.1039/b704806h","","x-ray","0.71069","MoKα","","0.0569","0.0363","","","0.0813","0.095","","","","","","1.004","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202905","16.5004","0.0007","11.8425","0.0005","14.132","0.0007","90","","98.387","0.002","90","","2731.9","0.2","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-bis(5-ethoxy-2-(4-nitro- phenyl)thiazoyl)perfluorocyclopentene","1,2-bis[5-ethoxy-2-(4-nitro-phenyl)thiazoyl]perfluorocyclopentene","","- C27 H18 F6 N4 O6 S2 -","- C27 H18 F6 N4 O6 S2 -","- C108 H72 F24 N16 O24 S8 -","4","1","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Lacroix, Pascal G.; Nakatani, Keitaro; Pansu, Robert; Maurel, François","Dithiazolylethene-based molecular switches for nonlinear optical properties and fluorescence: synthesis, crystal structure and ligating properties","Journal of Materials Chemistry","2007","17","41","4414","","10.1039/b704806h","","x-ray","0.71073","MoKα","","0.0925","0.0717","","","0.1873","0.2089","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202907","9.9866","0.0011","9.9866","0.0011","9.9866","0.0011","90","","90","","90","","995.99","0.19","50","2","50","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ga Nb4 S8 -","- Ga Nb4 S8 -","- Ga4 Nb16 S32 -","4","0.0416667","","Jakob, Stefanie; Müller, Helen; Johrendt, Dirk; Altmannshofer, Sandra; Scherer, Wolfgang; Rayaprol, Sudhindra; Pöttgen, Rainer","Structural and magnetic transitions in the Mott insulator GaNb4S8","Journal of Materials Chemistry","2007","17","36","3833","","10.1039/b704943a","","","0.71073","MoKα","","0.0358","0.0127","","","0.0478","0.0485","","","","","","1.351","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202908","9.9917","0.0014","9.9917","0.0014","9.978","0.002","90","","90","","90","","996.1","0.3","20","2","20","0.1","","","","","","","","3","P -4 21 m","P -4 2ab","113","","","","- Ga Nb4 S8 -","- Ga Nb4 S8 -","- Ga4 Nb16 S32 -","4","0.5","","Jakob, Stefanie; Müller, Helen; Johrendt, Dirk; Altmannshofer, Sandra; Scherer, Wolfgang; Rayaprol, Sudhindra; Pöttgen, Rainer","Structural and magnetic transitions in the Mott insulator GaNb4S8","Journal of Materials Chemistry","2007","17","36","3833","","10.1039/b704943a","","","0.71073","MoKα","","0.0273","0.0265","","","0.0778","0.079","","","","","","1.145","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202912","9.405","0.003","10.934","0.004","17.343","0.006","84.339","0.005","86.416","0.006","70.879","0.005","1676","1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N2 O -","- C44 H30 N2 O -","- C88 H60 N4 O2 -","2","1","","Chen, Shiyan; Xu, Xinjun; Liu, Yunqi; Qiu, Wenfeng; Yu, Gui; Sun, Xiaobo; Zhang, Hengjun; Qi, Ting; Lu, Kun; Gao, Xike; Liu, Ying; Zhu, Daoben","Highly efficient blue electrophosphorescent devices with a new series of host materials: polyphenylene-dendronized oxadiazole derivatives","Journal of Materials Chemistry","2007","17","36","3788","","10.1039/b705515c","","","0.71073","MoKα","","0.1364","0.0551","","","0.1184","0.1667","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202944","20.268","0.003","10.0519","0.0013","22.389","0.003","90","","90","","90","","4561.4","1.1","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C62 H52 -","- C62 H52 -","- C248 H208 -","4","0.5","","Kim, Soo-Kang; Park, Young-Il; Kang, In-Nam; Park, Jong-Wook","New deep-blue emitting materials based on fully substituted ethylene derivatives","Journal of Materials Chemistry","2007","17","44","4670","","10.1039/b706606f","","","0.71073","MoKα","","0.3411","0.1204","","","0.2709","0.4222","","","","","","0.972","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202995","22.745","0.003","13.9148","0.0018","12.2573","0.0016","90","","119.369","0.002","90","","3380.8","0.8","292","2","292","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 N5 -","- C38 H47 N5 -","- C152 H188 N20 -","4","0.5","","Liu, Zijun; Chen, Tao; Liu, Bo; Huang, Zhen-Li; Huang, Ting; Li, Suyue; Xu, Yuxi; Qin, Jingui","Two-photon absorption of a series of V-shape molecules: the influence of acceptor's strength on two-photon absorption in a noncentrosymmetric D–π–A–π–D system","Journal of Materials Chemistry","2007","17","44","4685","","10.1039/b707909e","","","0.71073","MoKα","","0.1235","0.0694","","","0.1725","0.2053","","","","","","0.977","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202996","7.9565","0.0011","13.906","0.002","22.415","0.004","90","","90","","90","","2480.1","0.7","113","","113","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C H5 F7 N Yb2 -","- C H5 F7 N Yb2 -","- C16 H80 F112 N16 Yb32 -","16","0.5","","Jayasundera, Anil C. A.; Finch, Adrian A.; Townsend, P. D.; Lightfoot, Philip","Hydrothermal synthesis and luminescent properties of a new family of organically templated lanthanide fluorides","Journal of Materials Chemistry","2007","17","39","4178","","10.1039/b707993a","","","0.71073","MoKα","","0.0246","0.0194","","","0.0435","0.0458","","","","","","1.042","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202997","11.9753","0.0008","23.2559","0.0016","6.8413","0.0005","90","","110.384","0.001","90","","1786","0.2","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","C2HN6O4, C2H5N4, 2(C2H4N4), H2O","","","- C8 H16 N18 O5 -","- C8 H16 N18 O5 -","- C32 H64 N72 O20 -","4","1","","Zhuo Zeng; Haixiang Gao; Brendan Twamley; Jean'ne M. Shreeve","Energetic mono and dibasic 5-dinitromethyltetrazolates: synthesis, properties, and particle processing","Journal of Materials Chemistry","2007","17","36","3819","","10.1039/b708041g","","","0.71073","MoKα","","0.0382","0.0336","","","0.0752","0.0774","","","","","","1.035","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202998","15.7214","0.001","12.7935","0.0008","8.1458","0.0005","90","","121.096","0.001","90","","1402.95","0.15","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(C4H7N2)2(C2N6O4)","","","- C10 H14 N10 O4 -","- C10 H14 N10 O4 -","- C40 H56 N40 O16 -","4","0.5","","Zhuo Zeng; Haixiang Gao; Brendan Twamley; Jean'ne M. Shreeve","Energetic mono and dibasic 5-dinitromethyltetrazolates: synthesis, properties, and particle processing","Journal of Materials Chemistry","2007","17","36","3819","","10.1039/b708041g","","","0.71073","MoKα","","0.0424","0.0337","","","0.0819","0.0877","","","","","","1.019","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7203045","10.514","0.002","11.309","0.003","16.393","0.005","83.502","0.014","78.733","0.016","69.532","0.013","1788.8","0.8","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H46 N2 -","- C48 H46 N2 -","- C96 H92 N4 -","2","1","","Song, Yabin; Di, Chong-an; Xu, Wei; Liu, Yunqi; Zhang, Deqing; Zhu, Daoben","New semiconductors based on triphenylamine with macrocyclic architecture: synthesis, properties and applications in OFETs","Journal of Materials Chemistry","2007","17","42","4483","","10.1039/b708887f","","","0.7107","MoKα","","0.0963","0.0578","","","0.1248","0.1452","","","","","","1.015","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203055","22.3238","0.0011","10.0035","0.0005","38.1841","0.0018","90","","90","","90","","8527.1","0.7","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H106 Er2 N4 O12 -","- C96 H106 Er2 N4 O12 -","- C384 H424 Er8 N16 O48 -","4","0.5","","Song, Limei; Liu, Xinhou; Zhen, Zhen; Chen, Cong; Zhang, Daming","Solution-processable erbium–ytterbium complex for potential planar optical amplifier application","Journal of Materials Chemistry","2007","17","43","4586","","10.1039/b709237g","","","0.7107","MoKα","","0.0572","0.0509","","","0.0826","0.0845","","","","","","1.282","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203065","10.9387","0.0011","11.4172","0.0013","14.3741","0.0016","90","","99.686","0.007","90","","1769.6","0.3","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 S4 -","- C22 H14 S4 -","- C88 H56 S16 -","4","1","","Zhao, Tianyue; Wei, Zhongming; Song, Yabin; Xu, Wei; Hu, Wenping; Zhu, Daoben","Tetrathia[22]annulene[2,1,2,1]: physical properties, crystal structure and application in organic field-effect transistors","Journal of Materials Chemistry","2007","17","41","4377","","10.1039/b709324a","","","0.7107","MoKα","","0.0533","0.0417","","","0.0894","0.0953","","","","","","1.123","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7216036","26.3136","0.0001","26.3136","0.0001","26.3136","0.0001","90","","90","","90","","18219.7","0.12","153","2","153","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","UHM-31","","","- C34 H37 Cu3 F2 O19 -","- C18 H4.02 Cu3 F1.98 O15 -","- C288 H64.32 Cu48 F31.68 O240 -","16","0.0833333","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0668","0.0599","","","0.2127","0.2212","","","","","","1.146","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216037","10.8304","0.0001","11.9985","0.0001","15.496","0.0002","90","","95.227","0.001","90","","2005.31","0.04","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","UHM-32","","","- C17 H21 Cu2 F N2 O9 -","- C17 H21 Cu2 F N2 O9 -","- C68 H84 Cu8 F4 N8 O36 -","4","1","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0488","0.0461","","","0.1144","0.1168","","","","","","1.026","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216038","11.8906","0.0001","11.6262","0.0001","14.501","0.0001","90","","91.671","0.001","90","","2003.8","0.03","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","UHM-33","","","- C17 H21 Cu F N2 O8 -","- C17 H21 Cu F N2 O8 -","- C68 H84 Cu4 F4 N8 O32 -","4","1","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0436","0.043","","","0.1095","0.1099","","","","","","1.052","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7218067","12.5946","0.0003","12.5946","0.0003","8.2087","0.0003","90","","90","","120","","1127.65","0.06","120","2","120","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.","Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework","CrystEngComm","2015","17","2","370","","10.1039/C4CE01386G","","","0.71073","MoKα","","0.0324","0.0276","","","0.0845","0.0921","","","","","","1.087","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218068","7.309","0.0002","7.309","0.0002","8.1701","0.0003","90","","90","","120","","377.98","0.02","300","2","300","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C6 H14 N2 O12 Zn2 -","2","0.166667","","Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.","Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework","CrystEngComm","2015","17","2","370","","10.1039/C4CE01386G","","","0.71073","MoKα","","0.0183","0.018","","","0.0487","0.0492","","","","","","1.074","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218069","8.6456","0.0016","12.31","0.002","22.758","0.004","98.677","0.002","92.478","0.002","104.114","0.002","2314","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H58 Br2 -","- C56 H58 Br2 -","- C112 H116 Br4 -","2","1","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71073","MoKα","","0.117","0.0781","","","0.1845","0.2075","","","","","","1.064","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218070","11.1014","0.0009","11.6074","0.0009","17.9752","0.0014","101.916","0.001","105.051","0.001","92.108","0.001","2178.6","0.3","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C56 H60 -","- C56 H60 -","- C112 H120 -","2","1","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71073","MoKα","","0.05","0.042","","","0.1075","0.1136","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218071","25.721","0.005","5.527","0.005","11.027","0.005","90","0.005","110.517","0.005","90","0.005","1468.2","1.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H26 Br2 -","- C40 H26 Br2 -","- C80 H52 Br4 -","2","0.5","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71069","MoKα","","0.0665","0.0531","","","0.1469","0.1589","","","","","","0.829","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218180","14.052","0.003","10.029","0.003","18.994","0.005","90","","101.069","0.003","90","","2627","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","","","- C24 H24 Br2 F5 N5 O3 -","- C24 H24 Br2 F5 N5 O3 -","- C96 H96 Br8 F20 N20 O12 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.1993","0.0693","","","0.148","0.1801","","","","","","0.925","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218181","19.4138","0.0015","17.3697","0.0014","10.4512","0.0008","90","","90","","90","","3524.3","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","4:morpholine 1/1 solvate","","","- C32 H41 Br2 F4 N7 O5 -","- C32 H41 Br2 F4 N7 O5 -","- C128 H164 Br8 F16 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0906","0.0487","","","0.0879","0.1009","","","","","","1.016","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218182","19.6801","0.0013","17.4108","0.0011","10.6952","0.0007","90","","90","","90","","3664.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","5:morpholine 1/1 solvate","","","- C32 H41 F4 I2 N7 O5 -","- C32 H41 F4 I2 N7 O5 -","- C128 H164 F16 I8 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0541","0.0386","","","0.069","0.0739","","","","","","1.029","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218262","12.2796","0.0006","11.7459","0.0004","15.808","0.0009","90","","102.781","0.005","90","","2223.57","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O4 S -","- C25 H25 N O4 S -","- C100 H100 N4 O16 S4 -","4","1","","Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds","Green Chem.","2015","17","2","950","","10.1039/C4GC01431F","","","0.71073","MoKα","","0.1229","0.0597","","","0.1079","0.1339","","","","","","1.023","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218263","16.581","0.005","11.236","0.005","14.597","0.005","90","0.005","90","0.005","90","0.005","2719.5","1.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H29 N O2 S -","- C31 H29 N O2 S -","- C124 H116 N4 O8 S4 -","4","1","","Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","Catalyst-free one-pot four-component domino reactions in water–PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds","Green Chem.","2015","17","2","950","","10.1039/C4GC01431F","","","0.71073","MoKα","","0.1184","0.0975","","","0.2822","0.3089","","","","","","1.199","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218264","6.4263","0.0003","12.9536","0.0005","23.9037","0.0011","90","","97.062","0.005","90","","1974.74","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C88 H100 N4 O8 S4 -","4","1","","Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","Catalyst-free one-pot four-component domino reactions in water–PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds","Green Chem.","2015","17","2","950","","10.1039/C4GC01431F","","","0.71073","MoKα","","0.095","0.0586","","","0.1367","0.1621","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218288","29.745","0.011","5.802","0.002","19.967","0.008","90","","112.103","0.004","90","","3193","2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C136 H192 N16 O8 -","8","1","","Xie, Yanjun; Cheng, Xiufang; Liu, Saiwen; Chen, Hui; Zhou, Wang; Yang, Luo; Deng, Guo-Jun","Efficient 4,5-dihydro-1H-imidazol-5-one formation from amidines and ketones under transition-metal free conditions","Green Chem.","2015","17","1","209","","10.1039/C4GC01515K","","","0.71073","MoKα","","0.0593","0.0525","","","0.1152","0.119","","","","","","1.118","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218306","8.3326","0.0004","10.378","0.0005","16.5929","0.0009","87.46","0.003","77.784","0.003","74.322","0.003","1350.09","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cu N4 O7 -","- C28 H30 Cu N4 O7 -","- C56 H60 Cu2 N8 O14 -","2","1","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1205","0.0652","","","0.167","0.2012","","","","","","1.028","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218307","29.5458","0.0009","6.3519","0.0002","18.5588","0.0006","90","","125.32","0.002","90","","2841.88","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu N4 O8 -","- C28 H34 Cu N4 O8 -","- C112 H136 Cu4 N16 O32 -","4","0.5","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1121","0.0624","","","0.1577","0.1864","","","","","","1.009","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218308","15.8723","0.0008","12.1103","0.0006","14.8539","0.0007","90","","90","","90","","2855.2","0.2","296","2","296","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C28 H34 Cu N4 O8 -","- C28 H34 Cu N4 O8 -","- C112 H136 Cu4 N16 O32 -","4","0.5","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1229","0.075","","","0.1865","0.2242","","","","","","1.053","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218347","7.3275","0.0005","8.5017","0.0006","13.4868","0.0009","84.83","0.006","86.312","0.006","74.381","0.006","805.16","0.1","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 F12 I4 N4 P2 -","- C18 H36 F12 I4 N4 P2 -","- C18 H36 F12 I4 N4 P2 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","1.54184","CuKα","","0.0692","0.0643","","","0.175","0.1783","","","","","","1.123","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218348","9.2353","0.0004","9.5741","0.0004","15.2398","0.0007","92.225","0.004","94.475","0.004","92.593","0.004","1340.8","0.1","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 I20 N4 -","- C18 H36 I20 N4 -","- C18 H36 I20 N4 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","x-ray","0.71073","MoKα","","0.0406","0.033","","","0.0617","0.0666","","","","","","1.016","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218349","23.6028","0.0006","25.1893","0.0008","7.6207","0.0002","90","","90","","90","","4530.8","0.2","298","","298","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C18 H36 I6 N4 -","- C18 H36 I6 N4 -","- C108 H216 I36 N24 -","6","0.75","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0886","0.0543","","","0.0878","0.1011","","","","","","1.119","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218350","28.9478","0.0014","14.3498","0.0009","6.3034","0.0004","90","","90","","90","","2618.4","0.3","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H36 I4 N4 -","- C18 H36 I4 N4 -","- C72 H144 I16 N16 -","4","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0625","0.0563","","","0.1465","0.1497","","","","","","1.199","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218351","8.1603","0.0006","9.2796","0.0008","11.8828","0.0005","96.851","0.005","90.584","0.005","111.27","0.007","831.14","0.11","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 F12 I4 N4 P2 -","- C20 H40 F12 I4 N4 P2 -","- C20 H40 F12 I4 N4 P2 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","1.54184","CuKα","","0.0512","0.0442","","","0.1093","0.1167","","","","","","1.056","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218352","16.8096","0.0002","15.3277","0.0001","22.8613","0.0003","90","","90","","90","","5890.27","0.11","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H40 I6 N4 -","- C20 H40 I6 N4 -","- C160 H320 I48 N32 -","8","1","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0676","0.0582","","","0.1562","0.1649","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218353","8.8468","0.0005","9.2378","0.0004","13.5621","0.0008","102.188","0.003","92.217","0.002","106.349","0.003","1033.87","0.1","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H40 I12 N4 -","- C20 H40 I12 N4 -","- C20 H40 I12 N4 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0514","0.0408","","","0.0737","0.078","","","","","","1.129","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218373","12.771","0.003","14.579","0.003","16.377","0.003","106.53","0.03","105.21","0.03","91.3","0.03","2805.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 I N O5 S -","- C30 I N O5 S -","- C60 I2 N2 O10 S2 -","2","1","","Xu, Shijie; Liu, Jianquan; Hu, Donghua; Bi, Xihe","Metal-free hydroacyloxylation and hydration reactions of ynamides: synthesis of α-acyloxyenamides and N-acylsulfonamides","Green Chem.","2015","17","1","184","","10.1039/C4GC01328J","","","0.71073","MoKα","","0.5924","0.5622","","","0.8534","0.8781","","","","","","5.814","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7218396","7.5759","0.0006","11.0478","0.001","23.488","0.002","90","","90","","90","","1965.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl N O2 -","- C22 H22 Cl N O2 -","- C88 H88 Cl4 N4 O8 -","4","1","","Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde","Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones","Green Chem.","2015","17","1","188","","10.1039/C4GC01234H","","","0.71073","MoKα","","0.0956","0.0577","","","0.1418","0.1606","","","","","","0.997","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218397","10.0101","0.001","10.7765","0.001","15.5711","0.0014","90","","93.9","0.003","90","","1675.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde","Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones","Green Chem.","2015","17","1","188","","10.1039/C4GC01234H","","","0.71073","MoKα","","0.0771","0.0551","","","0.132","0.1459","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218398","10.6004","0.0018","13.375","0.002","16.069","0.002","82.836","0.004","71.805","0.005","89.343","0.005","2146.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cl N O4 -","- C24 H18 Cl N O4 -","- C96 H72 Cl4 N4 O16 -","4","2","","Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde","Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones","Green Chem.","2015","17","1","188","","10.1039/C4GC01234H","","","0.71073","MoKα","","0.1751","0.0778","","","0.1928","0.2233","","","","","","0.964","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218406","11.5887","0.0003","13.7676","0.0004","16.8921","0.0005","90","","90","","90","","2695.11","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O5 U -","- C12 H11 N2 O5 U -","- C96 H88 N16 O40 U8 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0462","0.0294","","","0.0566","0.062","","","","","","1.038","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218407","17.5227","0.0016","11.7243","0.001","16.7131","0.0015","90","","112.255","0.002","90","","3177.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N3 O10 U2 -","- C8 H10 N3 O10 U2 -","- C64 H80 N24 O80 U16 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0845","0.0609","","","0.1731","0.185","","","","","","1.049","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218408","7.9487","0.0005","19.0021","0.0011","10.5863","0.0006","90","","95.645","0.001","90","","1591.22","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O6 U -","- C14 H14 N2 O6 U -","- C56 H56 N8 O24 U4 -","4","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0461","0.0285","","","0.0533","0.0581","","","","","","0.989","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218409","7.2325","0.0016","16.469","0.004","17.315","0.004","90","","100.814","0.003","90","","2025.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 N O10.5 U2 -","- C2 H7 N O10.5 U2 -","- C16 H56 N8 O84 U16 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0871","0.0505","","","0.0939","0.1081","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218420","26.51","0.003","26.51","0.003","26.51","0.003","90","","90","","90","","18631","4","293","2","293","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","DUT-6-boron","DUT-6","","- C121.5 H206.5 B1.33 N15.5 O28.5 Zn4 -","- C44 H36 B1.33333 O13 Zn4 -","- C264 H216 B8 O78 Zn24 -","6","0.125","","Helten, Stella; Sahoo, Basudev; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank","Copolymerisation at work: the first example of a highly porous MOF comprising a triarylborane-based linker","CrystEngComm","2015","17","2","307","","10.1039/C4CE01400F","","x-ray","0.88561","synchrotron","","0.1383","0.1167","","","0.3529","0.3864","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218434","7.563","0.006","8.34","0.007","9.721","0.006","68.15","0.03","79.933","0.015","63.506","0.009","509.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N12 O3 -","- C20 H18 Cd N12 O3 -","- C20 H18 Cd N12 O3 -","1","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0637","0.0615","","","0.1737","0.1754","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218435","12.584","0.002","11.4846","0.0019","15.765","0.003","90","","101.664","0.002","90","","2231.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cd N12 O3 -","- C20 H20 Cd N12 O3 -","- C80 H80 Cd4 N48 O12 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0447","0.0321","","","0.0721","0.0785","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218436","7.784","0.004","13.039","0.006","11.761","0.005","90","","93.106","0.006","90","","1191.9","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cd N12 O4 -","- C20 H22 Cd N12 O4 -","- C40 H44 Cd2 N24 O8 -","2","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.1225","0.1051","","","0.3042","0.3133","","","","","","1.041","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218437","13.27","0.004","13.217","0.004","6.92","0.002","90","","100.561","0.003","90","","1193.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cd Cl N6 O -","- C10 H9 Cd Cl N6 O -","- C40 H36 Cd4 Cl4 N24 O4 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0425","0.0392","","","0.1108","0.1127","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218438","9.7741","0.0008","7.3309","0.0006","16.1973","0.0014","90","","105.005","0.001","90","","1121.01","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cd Cl N6 -","- C10 H7 Cd Cl N6 -","- C40 H28 Cd4 Cl4 N24 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0199","0.0178","","","0.0438","0.0449","","","","","","1.06","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218439","4.268","0.003","8.108","0.005","17.578","0.011","95.734","0.009","94.064","0.008","103.239","0.008","586.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cd I2 N12 -","- C20 H14 Cd I2 N12 -","- C20 H14 Cd I2 N12 -","1","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.1699","0.0672","","","0.1154","0.1439","","","","","","1.017","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218440","9.8675","0.0015","7.7516","0.0013","17.034","0.003","90","","107.209","0.002","90","","1244.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cd I N6 -","- C10 H7 Cd I N6 -","- C40 H28 Cd4 I4 N24 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0268","0.0231","","","0.062","0.0643","","","","","","1.001","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218441","17.3547","0.0015","17.3547","0.0015","16.3898","0.0014","90","","90","","120","","4275","0.6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H14 Cd N12 -","- C20 H14 Cd N12 -","- C180 H126 Cd9 N108 -","9","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0196","0.0186","","","0.0631","0.0642","","","","","","0.99","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218451","12.9802","0.0003","8.1449","0.00018","14.5848","0.0003","90","","90","","90","","1541.94","0.06","100","","100","","","","","","","","Reagents obtained from Sigma Aldrich and Alfa Aesar","4","P b c a","-P 2ac 2ab","61","","Acetonitrilocopper(I) tricyanomethanide","","- C6 H3 Cu N4 -","- C6 H3 Cu N4 -","- C48 H24 Cu8 N32 -","8","1","","Hunt, Sarah J.; Cliffe, Matthew J.; Hill, Joshua A.; Cairns, Andrew B.; Funnell, Nicholas P.; Goodwin, Andrew L.","Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework","CrystEngComm","2015","17","2","361","369","10.1039/c4ce01572j","","","1.54184","CuKα","","0.0229","0.0199","","0.0542","0.0524","0.0542","","","","","","0.9951","","","","has coordinates","274642","2022-04-22","16:43:09",""
"7218471","11.622","0.005","22.213","0.005","11.896","0.005","90","0.005","112.738","0.005","90","0.005","2832.4","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N6 O44 Si W12 -","- C30 H24 Cu2 N6 O44 Si W12 -","- C60 H48 Cu4 N12 O88 Si2 W24 -","2","0.5","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.1126","0.0943","","","0.2013","0.2108","","","","","","1.21","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218472","16.044","0.005","21.276","0.005","11.001","0.005","90","0.005","110.46","0.005","90","0.005","3518","2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C48 H20 Cu N6 O46 Si W12 -","- C48 H20 Cu N6 O46 Si W12 -","- C96 H40 Cu2 N12 O92 Si2 W24 -","2","0.25","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.0573","0.0423","","","0.1203","0.1424","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218473","24.737","0.005","10.601","0.005","20.038","0.005","90","0.005","99.405","0.005","90","0.005","5184","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu N8 O42 Si W12 -","- C24 H20 Cu N8 O42 Si W12 -","- C96 H80 Cu4 N32 O168 Si4 W48 -","4","0.5","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.055","0.0455","","","0.1095","0.1163","","","","","","1.133","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218474","8.0352","0.0002","16.1215","0.0003","20.0537","0.0004","90","","90","","90","","2597.75","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-1,2-diphenyl-1,2-bis (2,3,5,6-tetrafluoro-4-iodophenoxy)ethane","","- C26 H12 F8 I2 O2 -","- C26 H12 F8 I2 O2 -","- C104 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0549","0.0475","","","0.1216","0.1269","","","","","","1.069","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218475","8.9564","0.0003","13.3787","0.0004","23.5539","0.0007","90","","90","","90","","2822.35","0.15","298","2","298","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","(S)-2,2'-bis(2,3,5,6-tetrafluoro-4-iodophenoxy)-1,1'-binaphthalene","","- C32 H12 F8 I2 O2 -","- C32 H12 F8 I2 O2 -","- C128 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0928","0.0433","","","0.0899","0.1089","","","","","","1.021","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218476","11.5706","0.0004","15.5144","0.0005","16.0571","0.0006","90","","90","","90","","2882.42","0.17","150","2","150","2","","","","","","","","6","P 2 21 21","P 2bc 2","18","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), triethylsulfonium iodide","","- C22 H23 F8 I3 O2 S -","- C22 H23 F8 I3 O2 S -","- C88 H92 F32 I12 O8 S4 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","x-ray","0.71073","MoKα","","0.0724","0.0518","","","0.1416","0.1641","","","","","","1.134","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218477","13.2765","0.0002","15.9187","0.0002","14.6917","0.0002","90","","102.437","0.008","90","","3032.15","0.12","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetraethylammonium bromide","","- C24 H28 Br F8 I2 N O2 -","- C24 H28 Br F8 I2 N O2 -","- C96 H112 Br4 F32 I8 N4 O8 -","4","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0832","0.0367","","","0.0658","0.0888","","","","","","1.128","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218478","12.0074","0.001","15.2998","0.0013","41.115","0.003","90","","90","","90","","7553.3","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrabutylammonium bromide","","- C32 H44 Br F8 I2 N O2 -","- C32 H44 Br F8 I2 N O2 -","- C256 H352 Br8 F64 I16 N8 O16 -","8","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0995","0.0823","","","0.1761","0.1856","","","","","","1.172","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218479","9.9519","0.0003","10.6977","0.0003","30.4347","0.001","90","","90","","90","","3240.15","0.17","150","2","150","2","","","","","","","","7","P 2 2 2","P 2 2","16","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrapentylammonium bromide","","- C52 H60 Br F16 I4 N O4 -","- C52 H60 Br F16 I4 N O4 -","- C104 H120 Br2 F32 I8 N2 O8 -","2","0.5","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","x-ray","0.71073","MoKα","","0.0781","0.0568","","","0.1532","0.1711","","","","","","1.162","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218524","12.7505","0.0005","18.627","0.0008","20.5062","0.0005","85.451","0.003","86.386","0.003","72.095","0.004","4616","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H77.61 Cd3 Cl6 N21 O1.87 -","- C99 H77.6121 Cd3 Cl6 N21 O1.8707 -","- C198 H155.224 Cd6 Cl12 N42 O3.7414 -","2","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","","1.54178","CuKα","","0.0556","0.047","","","0.1235","0.1344","","","","","","1.045","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218525","33.9556","0.0012","12.561","0.0005","25.2278","0.0008","90","","123.31","0.001","90","","8992.3","0.6","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Cd Cl2 N10 O -","- C48 H36 Cd Cl2 N10 O -","- C384 H288 Cd8 Cl16 N80 O8 -","8","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","x-ray","0.71073","MoKα","","0.0542","0.0379","","","0.1178","0.1293","","","","","","1.052","","","","has coordinates","211178","2020-10-21","18:00:00",""
"7218526","15.7677","0.0007","18.5983","0.0008","21.5286","0.0012","115.511","0.001","90.072","0.002","114.366","0.001","5065.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H68 Cd3 Cl6 N20 -","- C96 H68 Cd3 Cl6 N20 -","- C192 H136 Cd6 Cl12 N40 -","2","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","","0.71073","MoKα","","0.1389","0.0663","","","0.1872","0.2389","","","","","","0.834","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218527","14.4457","0.0004","14.5288","0.0003","13.7814","0.0003","90","","90","","90","","2892.42","0.12","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","[I(etu)2]+ I- [I3]-","[I(2-imidazolidinethione)2]+ I- [I3]-","","- C6 H12 I3 N4 S2 -","- C6 H12 I3 N4 S2 -","- C48 H96 I24 N32 S16 -","8","1","","Koskinen, L.; Hirva, P.; Kalenius, E.; Jääskeläinen, S.; Rissanen, K.; Haukka, M.","Halogen bonds with coordinative nature: halogen bonding in a S–I±-S iodonium complex","CrystEngComm","2015","17","6","1231","","10.1039/C4CE01735H","","","0.71073","MoKα","","0.0287","0.0203","","","0.0394","0.0429","","","","","","1.156","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218557","14.5118","0.0003","12.1374","0.0002","7.54977","0.00011","90","","91.1131","0.001","90","","1329.53","0.04","298","2","298","","","","100","","","","LASSBio","5","P 1 21/c 1","-P 2ybc","14","LASSBio-1289","(E)-N-methyl-N'-(thiophen-3-ylm-ethylene)benzo[d][1,3]dioxole-5-carbohydrazide","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","","Sato, Juliana Alves Pereira; Costa, Fanny Nascimento; da Rocha, Miguel Divino; Barreiro, Eliezer J.; Fraga, Carlos Alberto Manssour; Punzo, Francesco; Ferreira, Fabio Furlan","Structural characterization of LASSBio-1289: a new vasoactive N-methyl-N-acylhydrazone derivative","CrystEngComm","2015","17","1","165","","10.1039/C4CE02011A","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0062","1.161","","","","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218560","9.072","0.0018","13.14","0.003","30.7","0.006","92.72","0.03","90.2","0.03","90.01","0.03","3655.5","1.3","293","1","100","","","","","","","","","5","P -1","-P 1","2","Y85","","","- C70 H78 Cd2 N14 O16 -","- C70 H78 Cd2 N14 O16 -","- C140 H156 Cd4 N28 O32 -","2","1","","Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter C.","Rapid mechanochemical synthesis of two new Cd(ii)-based metal‒organic frameworks with high removal efficiency of Congo red","CrystEngComm","2015","17","3","686","","10.1039/C4CE01783H","","","0.71073","Synchrotron","","0.0953","0.0872","","","0.2533","0.2594","","","","","","1.158","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218561","15.5064","0.001","11.7116","0.0008","29.7359","0.0019","90","","103.601","0.0012","90","","5248.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cd N3 O6 -","- C24 H16 Cd N2 O5 -","- C192 H128 Cd8 N16 O40 -","8","1","","Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter C.","Rapid mechanochemical synthesis of two new Cd(ii)-based metal‒organic frameworks with high removal efficiency of Congo red","CrystEngComm","2015","17","3","686","","10.1039/C4CE01783H","","","0.71073","MoKα","","0.0569","0.0334","","","0.0647","0.0682","","","","","","0.998","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218562","11.4437","0.0004","22.5577","0.0008","8.1293","0.0003","90","","90","","90","","2098.53","0.13","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C80 H64 Br8 N24 O16 -","8","1","","Li, Wenjun; Du, Zhiyun; Zhang, Kun; Wang, Jian","Organocatalytic 1,3-dipolar cycloaddition reaction of α,β-unsaturated ketones with azides through iminium catalysis","Green Chem.","2015","17","2","781","","10.1039/C4GC01929F","","","0.71073","MoKα","","0.0282","0.0219","","","0.0576","0.0597","","","","","","1.079","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218563","16.4264","0.0014","10.8002","0.0009","17.5844","0.0015","90","","96.397","0.001","90","","3100.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H0 Mo8 N8 O26 -","- C40 Mo8 N8 O26 -","- C80 Mo16 N16 O52 -","2","0.5","","Zhou, Ming-Dong; Liu, Mei-Ju; Huang, Liang-Liang; Zhang, Jian; Wang, Jing-Yun; Li, Xue-Bing; Kühn, Fritz E.; Zang, Shu-Liang","Olefin epoxidation with hydrogen peroxide using octamolybdate-based self-separating catalysts","Green Chem.","2015","17","2","1186","","10.1039/C4GC01411A","","","0.71073","MoKα","","0.0701","0.052","","","0.1348","0.1489","","","","","","1.046","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218564","15.6345","0.0009","12.1211","0.0007","16.5893","0.001","90","","94.603","0.001","90","","3133.7","0.3","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H0 Mo8 N4 O27 -","- C44 Mo8 N4 O27 -","- C88 Mo16 N8 O54 -","2","0.5","","Zhou, Ming-Dong; Liu, Mei-Ju; Huang, Liang-Liang; Zhang, Jian; Wang, Jing-Yun; Li, Xue-Bing; Kühn, Fritz E.; Zang, Shu-Liang","Olefin epoxidation with hydrogen peroxide using octamolybdate-based self-separating catalysts","Green Chem.","2015","17","2","1186","","10.1039/C4GC01411A","","","0.71073","MoKα","","0.053","0.0415","","","0.1042","0.1109","","","","","","1.046","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218580","16.381","0.003","14.17","0.003","19.415","0.004","90","","104.25","0.03","90","","4367.9","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 N8 O9 Zn -","- C30.4 H29.2 N5.8 O6.8 Zn -","- C121.6 H116.8 N23.2 O27.2 Zn4 -","4","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1336","0.0905","","","0.245","0.2956","","","","","","1.086","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218581","14.529","0.002","16.543","0.002","21.125","0.003","90","","104.305","0.009","90","","4920","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 N9 O10 Zn -","- C26.9 H18 N5.3 O6.3 Zn -","- C107.6 H72 N21.2 O25.2 Zn4 -","4","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1688","0.1026","","","0.2844","0.3282","","","","","","1.098","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218582","15.1431","0.0006","15.2322","0.0006","16.0597","0.0004","98.484","0.002","102.682","0.002","104.206","0.003","3423.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H67 N9 O15 Zn2 -","- C44.4 H25 N4.8 O10.8 Zn2 -","- C88.8 H50 N9.6 O21.6 Zn4 -","2","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.0759","0.0662","","","0.2062","0.2157","","","","","","1.062","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218583","19.722","0.0005","28.0588","0.0006","28.0835","0.0004","90","","94.423","0.002","90","","15494.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 N12 O18 Zn2 -","- C42.25 H26 N4.75 O10.75 Zn2 -","- C338 H208 N38 O86 Zn16 -","8","2","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1393","0.0812","","","0.248","0.2952","","","","","","1.054","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218604","14.462","0.002","15.486","0.003","7.4899","0.0012","90","","96.971","0.003","90","","1665","0.5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H11 Co N3 O8 -","- C14 H9 Co N3 O8 -","- C56 H36 Co4 N12 O32 -","4","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0897","0.0642","","","0.1755","0.194","","","","","","1.075","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218605","5.8488","0.0013","16.227","0.004","13.164","0.003","90","","91.507","0.003","90","","1248.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu N2 O7 -","- C12 H8 Cu N2 O7 -","- C48 H32 Cu4 N8 O28 -","4","1","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0656","0.0408","","","0.1228","0.1756","","","","","","1.075","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218606","9.3276","0.001","11.9664","0.0013","19.099","0.002","90","","92.947","0.002","90","","2129","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Cu2 N8 O12 -","- C48 H28 Cu2 N8 O12 -","- C96 H56 Cu4 N16 O24 -","2","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0659","0.041","","","0.0877","0.0978","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218607","9.213","0.002","12.19","0.003","12.635","0.003","109.362","0.004","109.077","0.004","91.212","0.004","1251.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cu2 N8 O22 -","- C48 H48 Cu2 N8 O22 -","- C48 H48 Cu2 N8 O22 -","1","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0538","0.045","","","0.133","0.1567","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218608","9.357","0.004","11.325","0.005","12.54","0.005","64.338","0.006","69.757","0.006","75.003","0.006","1114.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cu2 N8 O18 -","- C44 H40 Cu2 N8 O18 -","- C44 H40 Cu2 N8 O18 -","1","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0741","0.0559","","","0.1643","0.2373","","","","","","1.028","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218609","18.562","0.0011","3.732","0.0002","18.568","0.0012","90","","93.993","0.006","90","","1283.15","0.13","101.15","0.1","101.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","","Sullivan, Rachel A.; Davey, Roger J.","Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid","CrystEngComm","2015","17","5","1015","","10.1039/C4CE01857E","","","0.7107","MoKα","","0.072612","0.051566","","","","0.134828","","","","","","1.07268","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218610","6.2436","0.0009","8.4577","0.0012","12.3655","0.0017","90","","100.198","0.015","90","","642.66","0.16","102.45","0.1","102.45","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Sullivan, Rachel A.; Davey, Roger J.","Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid","CrystEngComm","2015","17","5","1015","","10.1039/C4CE01857E","","","0.7107","MoKα","","0.069918","0.056788","","","","0.168259","","","","","","1.05859","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218611","14.8424","0.0019","6.6238","0.0009","11.7467","0.0018","90","","90","","90","","1154.9","0.3","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.4 H10.4 Fe N4.6 O1.6 -","- C6 H5 Fe N4 O -","- C24 H20 Fe4 N16 O4 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","","","0.71073","MoKα","","0.0774","0.0475","","","0.1077","0.1165","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218612","14.8281","0.0016","6.4872","0.0005","11.3503","0.0012","90","","90","","90","","1091.82","0.19","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C6 H9 Ga N4 O3 -","- C6 Ga N4 O3 -","- C24 Ga4 N16 O12 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","powder diffraction","","1.5418","CuKα","","0.0683","0.0683","","0.0962","0.0962","","","","3.02","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218646","11.082","0.002","9.182","0.001","16.959","0.002","90","","92.36","0.01","90","","1724.2","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C9 H20.4 La O13.2 -","- C9 H15 La O13.2 -","- C36 H60 La4 O52.8 -","4","1","","Michaelides, Adonis; Aravia, Maria; Siskos, Michael G.; Skoulika, Stavroula","Photochemical reactivity of a lamellar lanthanum MOF","CrystEngComm","2015","17","1","124","","10.1039/C4CE01396D","","","0.71073","MoKα","","0.054","0.0407","","","0.0996","0.1077","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218674","17.001","0.0019","19.633","0.002","23.109","0.004","90","","90","","90","","7713.3","1.8","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H15 Mn N3 O5 -","- C12 H6 Mn N2 O4 -","- C192 H96 Mn16 N32 O64 -","16","0.5","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.1079","0.075","","","0.2098","0.2325","","","","","","1.105","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218675","24.755","0.003","24.755","0.003","24.755","0.003","90","","90","","90","","15170","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C16 H20 Co N2 O7 S2 -","- C14 H12 Co N2 O5 S -","- C336 H288 Co24 N48 O120 S24 -","24","1","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.135","0.0885","","","0.2191","0.2466","","","","","","1.078","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218676","11.9082","0.001","8.3277","0.0007","12.7165","0.0011","90","","97.361","0.002","90","","1250.68","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Co N2 O6 -","- C12 H8 Co N2 O6 -","- C48 H32 Co4 N8 O24 -","4","1","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.0278","0.0264","","","0.0714","0.0724","","","","","","1.095","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218677","3.937","0.003","14.488","0.009","5.638","0.004","90","","90","","90","","321.6","0.4","473","2","473","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- F4 Mg Sr -","- F4 Mg Sr -","- F16 Mg4 Sr4 -","4","0.5","","Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y.","Structures and optical properties of two phases of SrMgF4.","Physical chemistry chemical physics : PCCP","2015","17","1","500","508","10.1039/c4cp04689g","","x-ray","0.71073","MoKα","","0.0522","0.052","","","0.128","0.1283","","","","","","1.104","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218678","7.4736","0.0005","16.8835","0.0012","7.801","0.0005","90","","105.03","0.002","90","","950.66","0.11","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- F4 Mg Sr -","- F4 Mg Sr -","- F48 Mg12 Sr12 -","12","6","","Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y.","Structures and optical properties of two phases of SrMgF4.","Physical chemistry chemical physics : PCCP","2015","17","1","500","508","10.1039/c4cp04689g","","x-ray","0.71073","MoKα","","0.0321","0.0235","","","0.056","0.0604","","","","","","0.87","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218703","11.629","0.004","17.902","0.005","12.38","0.004","90","","109.051","0.006","90","","2436.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cd N18 O10 -","- C42 H52 Cd N18 O10 -","- C84 H104 Cd2 N36 O20 -","2","0.5","","Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties","CrystEngComm","2015","17","3","598","","10.1039/C4CE01929F","","","0.71073","MoKα","","0.0458","0.039","","","0.1292","0.1428","","","","","","1.041","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218704","17.573","0.007","16.528","0.007","17.595","0.008","90","","90","","90","","5110","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H52 Cd Cl2 N16 O12 -","- C42 H52 Cd Cl2 N16 O12 -","- C168 H208 Cd4 Cl8 N64 O48 -","4","0.5","","Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties","CrystEngComm","2015","17","3","598","","10.1039/C4CE01929F","","","0.71073","MoKα","","0.0976","0.085","","","0.1982","0.2095","","","","","","1.064","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218705","10.056","0.002","10.955","0.002","11.676","0.002","113","0.03","97.99","0.03","92.39","0.03","1166","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Cd Cl N3 O4 -","- C25 H20 Cd Cl N3 O4 -","- C50 H40 Cd2 Cl2 N6 O8 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0282","0.0236","","","0.051","0.0531","","","","","","1.055","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218706","20.66","0.004","20.899","0.004","18.58","0.004","90","","102.46","0.03","90","","7833","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H138 Cd4 N20 O33 -","- C164 H138 Cd4 N20 O33 -","- C328 H276 Cd8 N40 O66 -","2","0.5","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0616","0.0354","","","0.0775","0.092","","","","","","1.016","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218707","9.809","0.002","15.607","0.003","16.604","0.003","81.76","0.03","88.16","0.03","72.57","0.03","2400","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H40 Cd N6 O9 -","- C51 H40 Cd N6 O9 -","- C102 H80 Cd2 N12 O18 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.037","0.0339","","","0.1049","0.108","","","","","","1.08","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218708","9.976","0.002","10.462","0.002","10.933","0.002","81.98","0.03","67.17","0.03","84.87","0.03","1040.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cd N3 O5 -","- C23 H16 Cd N3 O5 -","- C46 H32 Cd2 N6 O10 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0187","0.0177","","","0.0479","0.0488","","","","","","1.067","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218709","9.82","0.002","11.519","0.002","16.954","0.003","101.25","0.03","97.92","0.03","96.46","0.03","1843.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Cd N5 O7 -","- C41 H32 Cd N5 O7 -","- C82 H64 Cd2 N10 O14 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0548","0.0421","","","0.1017","0.1155","","","","","","1.065","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218710","12.458","0.003","13.915","0.003","14.341","0.003","74.555","0.003","85.531","0.003","89.871","0.002","2388.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Co2 H40 Mo10 O56 Sm2 -","- Co2 Mo10 O56 Sm2 -","- Co4 Mo20 O112 Sm4 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0478","0.0384","","","0.0981","0.1039","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218711","12.36","0.004","13.803","0.004","14.183","0.004","74.436","0.005","85.442","0.005","89.734","0.005","2323.2","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Co2 Eu2 H40 Mo10 O56 -","- Co2 Eu2 Mo10 O56 -","- Co4 Eu4 Mo20 O112 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.1363","0.0977","","","0.2268","0.2496","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218712","10.5118","0.0005","18.6632","0.0008","12.219","0.0006","90","","114.115","0.002","90","","2187.96","0.18","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 H40 Mo10 N3 O50 Sm -","- Co2 Mo10 N3 O50 Sm -","- Co4 Mo20 N6 O100 Sm2 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0283","0.028","","","0.0743","0.0745","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218713","10.5122","0.0005","18.6663","0.0009","12.2157","0.0006","90","","114.06","0.002","90","","2188.76","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 Eu H40 Mo10 N3 O50 -","- Co2 Eu Mo10 N3 O50 -","- Co4 Eu2 Mo20 N6 O100 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0302","0.0301","","","0.0812","0.0813","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218714","13.78516","0.00008","14.11066","0.00008","15.45815","0.00009","90","","101.358","0.0005","90","","2948","0.03","120","2","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Complex of Zn-acetate with (E)-3-{[2-(2-aminoethyl)pyridine]- phenylmethylidene}-1,4-dihydro-2H-1-phenylpyrrolo[2,3-b]quinoxalin- 2-one and acetonitrile solvent molecules in the ratio 1:1:1","","- C34 H28 N6 O3 Zn -","- C34 H28 N6 O3 Zn -","- C136 H112 N24 O12 Zn4 -","4","1","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0391","0.039","","","0.1064","0.1064","","","","","","1.091","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218715","12.65632","0.00009","19.63117","0.00011","19.20284","0.00011","90","","97.3451","0.0006","90","","4731.96","0.05","120.05","0.1","120.05","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one, racemate of two symmetrically independent conformers","","- C30 H23 N5 O -","- C30 H23 N5 O -","- C240 H184 N40 O8 -","8","2","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0279","0.0277","","","0.0723","0.0725","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218716","5.75094","0.00003","17.80093","0.00008","11.63481","0.00006","90","","98.7275","0.0005","90","","1177.29","0.01","119.9","0.2","119.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one; non centrosymmetric structure containing the molecules with (pR):(pS) configuration ratio = 0.828:0.172","","- C30 H24.32 N5 O1.66 -","- C30 H24.322 N5 O1.661 -","- C60 H48.644 N10 O3.322 -","2","1","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0366","0.0366","","","0.0949","0.0949","","","","","","1.043","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218717","5.2497","0.0003","49.977","0.002","7.6897","0.0005","90","","104.573","0.006","90","","1952.6","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","melatoninpimelic acid cocrystal","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Thermodynamics and preliminary pharmaceutical characterization of a melatonin–pimelic acid cocrystal prepared by a melt crystallization method","CrystEngComm","2015","17","3","612","","10.1039/C4CE01921K","","","1.54184","CuKα","","0.0623","0.0498","","","0.116","0.1225","","","","","","1.123","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218732","13.741","0.0006","13.741","0.0006","13.4117","0.0012","90","","90","","90","","2532.3","0.3","100","2","100","2","","","","","","","","6","I 4","I 4","79","","","","- C24 H36 Cs2 O32 Sr U4 -","- C24 H36 Cs2 O32 Sr U4 -","- C48 H72 Cs4 O64 Sr2 U8 -","2","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0423","0.0346","","","0.0616","0.0632","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218733","17.212","0.003","17.212","0.003","28.578","0.007","90","","90","","90","","8466","3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C36 H82 O62 Sr3 U6 -","- C36 H82 O62 Sr3 U6 -","- C144 H328 O248 Sr12 U24 -","4","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0818","0.0792","","","0.1829","0.184","","","","","","1.593","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218734","13.4543","0.001","18.4479","0.0014","16.4994","0.0012","90","","90","","90","","4095.2","0.5","170","2","170","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H54 O22 Sr U2 -","- C24 H54 O22 Sr U2 -","- C96 H216 O88 Sr4 U8 -","4","1","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0773","0.0485","","","0.0912","0.1025","","","","","","1.014","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218742","6.2212","0.0003","6.4416","0.0003","12.32","0.0006","96.924","0.004","103.818","0.004","97.07","0.004","469.99","0.04","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H4 S12 -","- C14 H4 S12 -","- C14 H4 S12 -","1","0.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0937","0.0418","","","0.0797","0.0942","","","","","","0.928","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218743","6.4084","0.0004","17.7164","0.0012","9.0918","0.0006","90","","109.547","0.004","90","","972.74","0.11","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H4 S12 -","- C14 H4 S12 -","- C28 H8 S24 -","2","1","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0786","0.0386","","","0.061","0.0684","","","","","","0.814","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218744","11.955","0.002","5.8261","0.001","29.396","0.005","90","","90.861","0.002","90","","2047.2","0.6","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BEDT-TTP","","","- C14 H8 S12 -","- C14 H8 S12 -","- C56 H32 S48 -","4","0.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0663","0.0536","","","0.1305","0.1361","","","","","","0.987","","","","has coordinates,has disorder","301864","2025-08-22","15:14:38",""
"7218745","6.4227","0.0004","9.4246","0.0005","16.9326","0.0009","83.89","0.003","81.735","0.003","70.108","0.003","951.97","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","EMDT-TTP","","","- C13 H6 S12 -","- C13 H6 S12 -","- C26 H12 S24 -","2","1","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71069","MoKα","","0.0797","0.0572","","","0.1241","0.1336","","","","","","0.906","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218746","6.4572","0.0001","19.2326","0.0002","24.0962","0.0002","90","","97.446","0.001","90","","2967.24","0.06","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 S12 -","- C14 H6 S12 -","- C84 H36 S72 -","6","1.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0717","0.0377","","","0.0836","0.0908","","","","","","0.909","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218747","10.1442","0.0016","11.7709","0.0018","15.044","0.002","109.125","0.008","97.344","0.007","109.259","0.008","1545.2","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 B F4 Ir N4 O2 -","- C24 H40 B F4 Ir N4 O2 -","- C48 H80 B2 F8 Ir2 N8 O4 -","2","1","","Manas, Michael G.; Campos, Jesús; Sharninghausen, Liam S.; Lin, Elisa; Crabtree, Robert H.","Selective catalytic oxidation of sugar alcohols to lactic acid","Green Chem.","2015","17","1","594","","10.1039/C4GC01694G","","","0.71073","MoKα","","0.0775","0.0502","","","0.1043","0.1168","","","","","","1.033","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218748","8.8404","0.0002","8.9886","0.0003","13.346","0.0004","90","","94.802","0.002","90","","1056.79","0.05","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C52 H60 N4 O4 -","2","0.5","","Ravat, Prince; Baumgarten, Martin","""Tschitschibabin type biradicals"": benzenoid or quinoid?","Physical chemistry chemical physics : PCCP","2015","17","2","983","991","10.1039/c4cp03522d","","","0.71073","MoKα","","0.0659","0.0505","","0.0643","0.0579","0.0574","","","","","","1.0718","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218749","18.1306","0.0008","11.2298","0.0003","17.6135","0.0008","90","","113.427","0.0018","90","","3290.6","0.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C160 H168 N8 O24 -","4","0.5","","Ravat, Prince; Baumgarten, Martin","""Tschitschibabin type biradicals"": benzenoid or quinoid?","Physical chemistry chemical physics : PCCP","2015","17","2","983","991","10.1039/c4cp03522d","","","0.71073","MoKα","","0.1027","0.0664","","0.1024","0.0947","0.0934","","","","","","0.9132","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218750","8.6143","0.0005","9.1073","0.0007","11.3382","0.0009","90","","101.959","0.004","90","","870.21","0.11","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Ravat, Prince; Baumgarten, Martin","""Tschitschibabin type biradicals"": benzenoid or quinoid?","Physical chemistry chemical physics : PCCP","2015","17","2","983","991","10.1039/c4cp03522d","","","0.71073","MoKα","","0.068","0.0577","","0.4001","0.0582","0.0582","","","","","","0.8373","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218757","8.241","0.002","9.61","0.003","9.79","0.003","87.334","0.009","71.536","0.008","84.334","0.009","731.7","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 S -","- C17 H16 N2 S -","- C34 H32 N4 S2 -","2","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0484","0.0387","","","0.0847","0.0884","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218758","9.1048","0.0019","7.4536","0.0015","23.795","0.005","90","","95.952","0.004","90","","1606.1","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 S -","- C18 H18 N2 S -","- C72 H72 N8 S4 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.059","0.0495","","","0.115","0.1218","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7218759","5.9539","0.0012","7.3758","0.0015","22.019","0.005","90","","91.787","0.003","90","","966.5","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C50 H44 N4 -","2","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0479","0.0398","","","0.0955","0.0996","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218760","8.7434","0.0013","13.538","0.002","17.321","0.003","88.079","0.005","84.857","0.005","77.108","0.005","1990.3","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 N2 -","- C23 H26 N2 -","- C92 H104 N8 -","4","2","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0844","0.0599","","","0.1246","0.1395","","","","","","0.999","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218761","5.9789","0.0015","7.3765","0.0018","43.952","0.011","90","","91.422","0.004","90","","1937.8","0.8","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0993","0.0892","","","0.2023","0.2094","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218771","10.11","0.002","10.525","0.002","12.221","0.002","77.69","0.03","81.26","0.03","82.69","0.03","1249.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid (bis) caffeine co-crystal","","- C24 H28 N8 O8 -","- C24 H28 N8 O8 -","- C48 H56 N16 O16 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0782","0.0542","","","0.1448","0.1605","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218772","11.2741","0.0006","15.7712","0.001","13.3746","0.0008","90","","90.572","0.002","90","","2378","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(bis) vanillic acid theophylline co-crystal","","- C23 H23 N4 O10 -","- C23 H23 N4 O10 -","- C92 H92 N16 O40 -","4","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0653","0.047","","","0.1195","0.1299","","","","","","1.047","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218773","8.2148","0.0016","8.2504","0.0017","13.132","0.003","102.82","0.03","97.46","0.03","93.98","0.03","856","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid theobromine co-crystal dihydrate","","- C15 H20 N4 O8 -","- C15 H20 N4 O8 -","- C30 H40 N8 O16 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0609","0.0415","","","0.1045","0.1156","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218774","8.469","0.0017","22.621","0.005","8.9534","0.0018","90","","90.68","0.03","90","","1715.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","vanillic acid acridine co-crystal","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.1092","0.0511","","","0.1057","0.1276","","","","","","0.965","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218775","4.8723","0.001","8.0058","0.0016","18.018","0.004","78.85","0.03","84.5","0.03","75.62","0.03","667.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid nicotinamide co-crystal","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C28 H28 N4 O10 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0678","0.0442","","","0.1042","0.1164","","","","","","1.005","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218776","7.9","0.0016","13.196","0.003","13.735","0.003","85.02","0.03","85.32","0.03","78.68","0.03","1395.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(bis)vanillic acid (bis)isonicotinamide dihydrate","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","2","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0967","0.0511","","","0.1183","0.1414","","","","","","1.021","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218777","6.9821","0.0014","10.232","0.002","15.388","0.003","99.68","0.03","95.37","0.03","103.46","0.03","1043.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(bis) vanillic acid (bis) urea","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","2","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0845","0.0474","","","0.1024","0.1191","","","","","","0.969","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218791","20.6425","0.0014","8.8968","0.0006","11.2958","0.001","90","","104.4","0.004","90","","2009.3","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-phenoxy-4(4-phenyl-1H-1,2,3-triazole-1-yl)phenyl)methanesulfonamide","","- C21 H18 N4 O3 S -","- C21 H18 N4 O3 S -","- C84 H72 N16 O12 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.09093","","1.22","","","","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218792","22.203","0.0018","8.9419","0.0007","11.2575","0.001","90","","103.79","0.006","90","","2170.6","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-phenoxy-4-(4-p-tolyl-1H-1,2,3-triazole-1-yl)phenyl)methanesulfonamide","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.0523","","1.4","","","","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218793","21.5451","0.0013","10.1672","0.0007","10.6966","0.001","90","","103.713","0.005","90","","2276.3","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-(4-((4-chloro-3-methylphenoxy)methyl)-1H-1,2,3-triazole-1-yl)-2-phenoxyphenyl)methanesulfonamide","","- C23 H21 Cl N4 O4 S -","- C23 H21 Cl N4 O4 S -","- C92 H84 Cl4 N16 O16 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.13976","","1.49","","","","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218794","9.3395","0.0003","12.6055","0.0004","16.7998","0.0006","87.865","0.002","76.551","0.002","73.18","0.002","1840.33","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Ag2 F10 N4 O7 S2 -","- C28 H24 Ag2 F10 N4 O7 S2 -","- C56 H48 Ag4 F20 N8 O14 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.085","0.0579","","","0.1534","0.1765","","","","","","1.026","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218795","10.6624","0.001","13.8203","0.001","12.4355","0.001","90","","109.075","0.004","90","","1731.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 Ag2 N4 O11 S2 -","- C25 H36 Ag2 N4 O11 S2 -","- C50 H72 Ag4 N8 O22 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1597","0.0729","","","0.1883","0.2336","","","","","","0.987","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218796","11.2445","0.0004","13.1403","0.0004","13.7311","0.0005","77.007","0.002","77.419","0.002","68.795","0.002","1822.13","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Ag2 F6 N4 O6 S2 -","- C29 H28 Ag2 F6 N4 O6 S2 -","- C58 H56 Ag4 F12 N8 O12 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1116","0.0646","","","0.1774","0.2056","","","","","","1.048","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218797","22.109","0.016","18.66","0.014","18.8","0.02","90","","115.532","0.018","90","","6999","10","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Ag2 N4 O9 S2 -","- C30 H40 Ag2 N4 O9 S2 -","- C240 H320 Ag16 N32 O72 S16 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.2169","0.0866","","","0.1918","0.2564","","","","","","1.024","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7218798","8.0768","0.0004","9.1756","0.0005","11.7609","0.0006","96.798","0.004","93.784","0.003","111.74","0.003","798.19","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Ag N2 O4 S -","- C15 H16 Ag N2 O4 S -","- C30 H32 Ag2 N4 O8 S2 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0603","0.0496","","","0.13","0.1375","","","","","","1.064","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218799","26.2359","0.0013","9.2864","0.0005","17.9373","0.0009","90","","130.057","0.003","90","","3345","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Ag N2 O3 S -","- C18 H16 Ag N2 O3 S -","- C144 H128 Ag8 N16 O24 S8 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0569","0.0366","","","0.0837","0.0927","","","","","","1.057","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218800","10.775","0.003","8.596","0.002","16.451","0.005","90","","123.909","0.011","90","","1264.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Ag N3 O3 S -","- C11 H10 Ag N3 O3 S -","- C44 H40 Ag4 N12 O12 S4 -","4","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1294","0.0588","","","0.1431","0.172","","","","","","0.969","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218801","13.647","0.0019","6.7053","0.0012","14.644","0.003","90","","91.048","0.009","90","","1339.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Ag B F4 N2 S -","- C11 H10 Ag B F4 N2 S -","- C44 H40 Ag4 B4 F16 N8 S4 -","4","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0687","0.0495","","","0.1575","0.1699","","","","","","1.118","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218802","13.8424","0.0006","16.8817","0.0008","13.4428","0.0006","90","","90","","90","","3141.4","0.2","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H11 Ag F3 N2 O3.5 S2 -","- C12 H10 Ag F3 N2 O3.5 S2 -","- C96 H80 Ag8 F24 N16 O28 S16 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0663","0.0482","","","0.1218","0.1332","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218803","10.267","0.004","12.136","0.006","22.648","0.01","102.16","0.03","95.99","0.03","102.8","0.03","2656","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H39 Ag3 N6 O9.25 S3 -","- C39 H35 Ag3 N6 O9.25 S3 -","- C78 H70 Ag6 N12 O18.5 S6 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.2515","0.1096","","","0.2943","0.3996","","","","","","1.023","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218804","12.7515","0.0007","13.5858","0.0007","21.4957","0.0014","107.207","0.005","99.278","0.005","103.727","0.005","3346.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H55 N0 O37 -","- C59 H55 O36.926 -","- C118 H110 O73.852 -","2","1","","Danylyuk, Oksana; Sashuk, Volodymyr","Solid-state assembly of carboxylic acid substituted pillar[5]arene and its host‒guest complex with tetracaine","CrystEngComm","2015","17","4","719","","10.1039/C4CE02093F","","","1.54184","CuKα","","0.096","0.084","","","0.2469","0.2611","","","","","","1.039","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218805","17.0487","0.0009","21.1862","0.0008","24.7335","0.001","76.225","0.003","80.707","0.004","85.563","0.004","8555.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C155 H152 N6 O84 -","- C155 H155 N6 O83.906 -","- C310 H310 N12 O167.812 -","2","1","","Danylyuk, Oksana; Sashuk, Volodymyr","Solid-state assembly of carboxylic acid substituted pillar[5]arene and its host‒guest complex with tetracaine","CrystEngComm","2015","17","4","719","","10.1039/C4CE02093F","","","1.54184","CuKα","","0.2314","0.1455","","","0.3515","0.4271","","","","","","1.061","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218806","5.2426","0.0008","11.965","0.002","12.256","0.002","75.126","0.011","87.661","0.01","83.717","0.011","738.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","ADI","","","- C26 H30 N12 O8 -","- C26 H30 N12 O8 -","- C26 H30 N12 O8 -","1","0.5","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0741","0.0398","","","0.0874","0.1007","","","","","","1.006","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218807","5.0909","0.0004","5.4368","0.0005","20.3002","0.0017","88.781","0.005","83.38","0.005","86.981","0.006","557.29","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","PZA-SEB","","","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","1","0.5","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0486","0.0368","","","0.0954","0.1017","","","","","","1.054","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218808","5.063","0.0011","10.312","0.003","12.716","0.003","92.328","0.016","101.006","0.015","92.647","0.017","650.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","4","","","- C11 H11 N3 O7 -","- C11 H11 N3 O7 -","- C22 H22 N6 O14 -","2","1","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.1122","0.0816","","","0.2465","0.2609","","","","","","1.183","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218809","5.4495","0.0002","11.784","0.0003","12.025","0.0004","117.195","0.002","93.573","0.002","96.119","0.002","677.53","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","PZA-SEB","","","- C11 H13 N3 O8 -","- C11 H13 N3 O8 -","- C22 H26 N6 O16 -","2","1","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0516","0.0342","","","0.0774","0.0847","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218810","11.189","0.002","6.536","0.0013","21.527","0.004","90","","102.41","0.03","90","","1537.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Adamantan-1-yl-4-methyl-benzenesulfonamide","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0683","0.0468","","","0.1523","0.1609","","","","","","1.03","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218811","11.977","0.001","10.516","0.001","11.29","0.001","90","","90","","90","","1422","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-Adamantan-1-yl-benzenesulfonamide","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0328","0.0298","","","0.0721","0.0734","","","","","","1.068","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218812","11.051","0.0004","6.4458","0.0003","21.466","0.0008","90","","102.427","0.003","90","","1493.25","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-Adamantan-1-yl-4-chloro-benzenesulfonamide","","- C16 H20 Cl N O2 S -","- C16 H20 Cl N O2 S -","- C64 H80 Cl4 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0439","0.0361","","","0.0874","0.0924","","","","","","1.067","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218813","10.8028","0.0003","11.6083","0.0003","14.0725","0.0004","90","","95.824","0.003","90","","1755.61","0.08","100.01","0.18","100.01","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-4-methyl-benzenesulfonamide","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0424","0.0355","","","0.094","0.0989","","","","","","1.021","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218814","10.5261","0.0003","11.5499","0.0003","14.1017","0.0004","90","","97.386","0.002","90","","1700.19","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-4-fluoro-benzenesulfonamide","","- C18 H24 F N O2 S -","- C18 H24 F N O2 S -","- C72 H96 F4 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0445","0.0356","","","0.0872","0.0925","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218815","9.33501","0.00018","11.577","0.0002","15.7703","0.0003","90","","100.587","0.0018","90","","1675.31","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-benzenesulfonamide","","- C18 H25 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0481","0.0381","","","0.097","0.1038","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218816","14.2744","0.0015","7.8786","0.0009","12.4054","0.0013","90","","90","","90","","1395.1","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Ge Mn2 N4 S4 -","- C4 H16 Ge Mn2 N4 S4 -","- C16 H64 Ge4 Mn8 N16 S16 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0382","0.0246","","","0.0598","0.0663","","","","","","1.037","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218817","8.971","0.005","16.81","0.009","10.435","0.006","90","","108.218","0.005","90","","1494.7","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Mn N4 S3 Sn -","- C6 H20 Mn N4 S3 Sn -","- C24 H80 Mn4 N16 S12 Sn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0333","0.0295","","","0.0642","0.0659","","","","","","1.059","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218818","9.3435","0.0011","17.014","0.002","12.8984","0.0015","90","","102.12","0.001","90","","2004.8","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H26 Mn2 N6 S4 Sn -","- C8 H26 Mn2 N6 S4 Sn -","- C32 H104 Mn8 N24 S16 Sn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0398","0.0367","","","0.0989","0.1017","","","","","","1.024","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218854","9.496","0.0011","11.5347","0.0013","11.8048","0.0013","67.494","0.002","81.395","0.002","69.474","0.002","1118.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.62 H18.47 N2 O6.62 S2 Zn -","- C18.616 H18.464 N2 O6.616 S2 Zn -","- C37.232 H36.928 N4 O13.232 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0873","0.0713","","","0.1923","0.2036","","","","","","1.038","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218855","9.6705","0.0005","11.6246","0.0006","11.7082","0.0006","66.363","0.001","82.283","0.001","68.217","0.001","1119.5","0.1","393","2","393","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N2 O4 S2 Zn -","- C18 H12 N2 O4 S2 Zn -","- C36 H24 N4 O8 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0444","0.0383","","","0.107","0.1135","","","","","","1.083","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218856","9.5666","0.0004","11.54","0.0005","11.8627","0.0005","67.61","0.001","80.961","0.001","68.932","0.001","1129.64","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14.2 N2 O5.1 S2 Zn -","- C18 H14.2 N2 O5.1 S2 Zn -","- C36 H28.4 N4 O10.2 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0491","0.0463","","","0.1579","0.1604","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218862","8.5178","0.0003","14.4262","0.0006","14.9256","0.0005","90","","100.234","0.003","90","","1804.87","0.12","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd N7 O3 -","- C17 H11 Cd N7 O3 -","- C68 H44 Cd4 N28 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0504","0.034","","","0.0716","0.0759","","","","","","1.029","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218863","7.6683","0.0015","8.8264","0.0018","14.996","0.003","78.42","0.03","79.89","0.03","81.62","0.03","972.4","0.4","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cd N9 O -","- C19 H13 Cd N9 O -","- C38 H26 Cd2 N18 O2 -","2","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0338","0.0278","","","0.0651","0.0683","","","","","","0.883","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218864","8.15961","0","11.21043","0","17.04066","0.00001","90","","94.4222","0.0003","90","","1554.12","0.0011","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cd N7 O3 -","- C15 H11 Cd N7 O3 -","- C60 H44 Cd4 N28 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.033","0.0262","","","0.0547","0.0568","","","","","","1.043","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218865","9.328","0.0005","13.9183","0.0005","13.8508","0.0006","90","","109.222","0.005","90","","1698","0.14","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cd N7 O4 -","- C15 H13 Cd N7 O4 -","- C60 H52 Cd4 N28 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions – structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0339","0.0247","","","0.0592","0.0619","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218866","7.7803","0.0004","10.2661","0.0004","10.722","0.0005","81.92","0.004","79.82","0.004","75.63","0.004","812.34","0.07","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 Cd2 N18 -","- C30 H22 Cd2 N18 -","- C30 H22 Cd2 N18 -","1","0.5","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions – structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0384","0.0318","","","0.0632","0.0663","","","","","","1.017","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218867","9.2897","0.0004","8.9304","0.0003","31.2856","0.0011","90","","97.826","0.003","90","","2571.3","0.17","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cd N10 O3 -","- C26 H16 Cd N10 O3 -","- C104 H64 Cd4 N40 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0746","0.0468","","","0.0948","0.098","","","","","","1.211","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218868","14.204","0.005","9.8521","0.0004","18.7354","0.0006","90","","94.64","0.03","90","","2613.2","0.9","293.5","","293.5","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cd N10 O4 -","- C26 H18 Cd N10 O4 -","- C104 H72 Cd4 N40 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions – structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0489","0.0334","","","0.0784","0.084","","","","","","1.021","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218869","9.4767","0.0003","12.5129","0.0004","14.3126","0.0005","90","","106.191","0.004","90","","1629.89","0.1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cd N7 O4 -","- C13 H12 Cd N7 O4 -","- C52 H48 Cd4 N28 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0341","0.028","","","0.0681","0.0707","","","","","","1.057","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218870","7.9227","0.0007","8.9657","0.0009","10.146","0.001","74.85","0.008","74.24","0.008","83.61","0.03","668.87","0.12","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Cd N9 -","- C12 H8 Cd N9 -","- C24 H16 Cd2 N18 -","2","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0304","0.0282","","","0.064","0.0652","","","","","","1.078","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218871","8.479","0.0003","12.9948","0.0008","16.2781","0.0011","68.455","0.006","84.347","0.004","73.048","0.004","1595.69","0.17","173","0.4","173","0.4","","","","","","","","3","P -1","-P 1","2","","(E)-2'-(2-(4'-(diphenylamino)-[1,1'-biphenyl]-2-yl)-2-phenylvinyl)-[1,1'-biphenyl]-4-carbonitrile","","- C45 H32 N2 -","- C45 H32 N2 -","- C90 H64 N4 -","2","1","","Li, Jie; Jiang, Yibin; Cheng, Juan; Zhang, Yilin; Su, Huimin; Lam, Jacky W. Y.; Sung, Herman H. Y.; Wong, Kam Sing; Kwok, Hoi Sing; Tang, Ben Zhong","Tuning the singlet-triplet energy gap of AIE luminogens: crystallization-induced room temperature phosphorescence and delay fluorescence, tunable temperature response, highly efficient non-doped organic light-emitting diodes.","Physical chemistry chemical physics : PCCP","2015","17","2","1134","1141","10.1039/c4cp04052j","","x-ray","1.5418","CuKα","","0.0469","0.0411","","","0.1068","0.1117","","","","","","1.005","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218883","11.51","0.009","12.16","0.01","13.074","0.01","109.155","0.013","111.714","0.012","96.969","0.014","1543","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cu2 Mo12 N8 O48 P -","- C32 H32 Cu2 Mo12 N8 O48 P -","- C32 H32 Cu2 Mo12 N8 O48 P -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.125","0.066","","","0.157","0.1943","","","","","","0.966","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218884","12.328","0.0008","12.696","0.0008","13.859","0.0009","106.698","0.001","108.07","0.001","108.991","0.001","1758.7","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H46 Cu2 N8 O51 P W12 -","- C32 H32 Cu2 N8 O51 P W12 -","- C32 H32 Cu2 N8 O51 P W12 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.0612","0.0481","","","0.1242","0.1305","","","","","","1.049","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218885","12.31","0.0018","12.668","0.0018","13.816","0.002","106.758","0.002","108.015","0.002","108.944","0.002","1747.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H46 Cu2 N8 O51 Si W12 -","- C32 H32 Cu2 N8 O51 Si W12 -","- C32 H32 Cu2 N8 O51 Si W12 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.081","0.0648","","","0.1688","0.1778","","","","","","1.05","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218886","10.364","0.0005","19.986","0.001","12.851","0.0007","90","","100.055","0.001","90","","2621","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu K Mo4 N4 O17 -","- C16 H17 Cu K Mo4 N4 O17 -","- C64 H68 Cu4 K4 Mo16 N16 O68 -","4","1","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.0852","0.0677","","","0.2045","0.2146","","","","","","1.035","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218887","11.416","0.002","10.013","0.002","14.914","0.003","90","","91.44","0.03","90","","1704.3","0.6","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","alfa-Magnesium formate","","- C10 H13 Mg3 O13 -","- C10 H13 Mg3 O13 -","- C40 H52 Mg12 O52 -","4","1","","Spanopoulos, I.; Bratsos, I.; Tampaxis, Ch.; Kourtellaris, A.; Tasiopoulos, A.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.","Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate","CrystEngComm","2015","17","3","532","","10.1039/C4CE01667J","","","0.71073","MoKα","","0.1671","0.0952","","","0.1949","0.2249","","","","","","1.134","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218888","11.363","0.0005","9.895","0.0005","14.6054","0.0008","90","","91.441","0.004","90","","1641.67","0.14","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Mg3 O12 -","- C6 H6 Mg3 O12 -","- C24 H24 Mg12 O48 -","4","1","","Spanopoulos, I.; Bratsos, I.; Tampaxis, Ch.; Kourtellaris, A.; Tasiopoulos, A.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.","Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate","CrystEngComm","2015","17","3","532","","10.1039/C4CE01667J","","","1.54184","CuKα","","0.0553","0.0443","","","0.0993","0.1043","","","","","","1.002","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218889","13.066","0.003","20.404","0.004","9.5822","0.0019","90","","94.37","0.03","90","","2547.2","0.9","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H22 N4 O4 Zn -","- C28 H22 N4 O4 Zn -","- C112 H88 N16 O16 Zn4 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0785","0.0704","","","0.2203","0.235","","","","","","1.1","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218890","12.996","0.003","16.994","0.003","10.668","0.002","90","","90","","90","","2356.1","0.8","223","2","223","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 N4 O4 Zn -","- C28 H22 N4 O4 Zn -","- C112 H88 N16 O16 Zn4 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0862","0.0804","","","0.1454","0.149","","","","","","1.028","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218891","10.362","0.002","10.649","0.002","11.096","0.002","92.16","0.03","100.28","0.03","92.65","0.03","1202.1","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd N4 O4 -","- C28 H22 Cd N4 O4 -","- C56 H44 Cd2 N8 O8 -","2","1","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0552","0.0473","","","0.1947","0.2257","","","","","","1.139","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218892","13.2835","0.0004","17.3692","0.0006","10.6116","0.0003","90","","90","","90","","2448.35","0.13","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 Cd N4 O4 -","- C28 H22 Cd N4 O4 -","- C112 H88 Cd4 N16 O16 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0472","0.0284","","","0.0618","0.0707","","","","","","1.034","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218893","14.06551","0.00016","29.396","0.0003","18.4286","0.0003","90","","107.058","0.0014","90","","7284.46","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Dy2 N3 O25 -","- C78 H69 Dy2 N3 O25 -","- C312 H276 Dy8 N12 O100 -","4","1","","Zhang, Lina; Lu, Shuting; Zhang, Chao; Du, Chenxia; Hou, Hongwei","Highly pH-dependent synthesis of two novel three-dimensional dysprosium complexes with interesting magnetic and luminescence properties","CrystEngComm","2015","17","4","846","","10.1039/C4CE02023E","","","0.7107","MoKα","","0.0497","0.0383","","","0.0881","0.0931","","","","","","1.09","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218894","19.1237","0.0003","14.4603","0.0002","30.6247","0.0004","90","","90","","90","","8468.8","0.2","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Dy2 N5 O26 -","- C84 H81 Dy2 N5 O26 -","- C336 H324 Dy8 N20 O104 -","4","1","","Zhang, Lina; Lu, Shuting; Zhang, Chao; Du, Chenxia; Hou, Hongwei","Highly pH-dependent synthesis of two novel three-dimensional dysprosium complexes with interesting magnetic and luminescence properties","CrystEngComm","2015","17","4","846","","10.1039/C4CE02023E","","","0.7107","MoKα","","0.0449","0.0388","","","0.0935","0.0974","","","","","","1.053","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218903","7.3765","0.0002","7.5213","0.0003","12.1712","0.0003","97.744","0.002","92.657","0.002","110.303","0.001","624.38","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl2 N6 O -","- C10 H10 Cl2 N6 O -","- C20 H20 Cl4 N12 O2 -","2","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.048","0.0364","","","0.0885","0.0958","","","","","","1.072","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218904","7.4637","0.0014","11.481","0.002","13.395","0.003","95.849","0.003","98.205","0.004","93.393","0.005","1127","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N6 O -","- C10 H12 N6 O -","- C40 H48 N24 O4 -","4","2","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71069","MoKα","","0.0496","0.0477","","","0.1253","0.1272","","","","","","1.12","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218905","11.4176","0.0004","7.2174","0.0002","29.6018","0.001","90","","90","","90","","2439.35","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cl N6 O -","- C10 H11 Cl N6 O -","- C80 H88 Cl8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0697","0.0416","","","0.0951","0.1067","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218906","11.3672","0.0004","7.2817","0.0002","30.1714","0.0011","90","","90","","90","","2497.36","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Br N6 O -","- C10 H11 Br N6 O -","- C80 H88 Br8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0562","0.0301","","","0.0639","0.0731","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218907","22.004","0.012","22.004","0.012","20.67","0.02","90","","90","","120","","8667","11","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H17 Cu N3 O5 -","- C18 H17 Cu N3 O5 -","- C324 H306 Cu18 N54 O90 -","18","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.0901","0.058","","","0.127","0.1393","","","","","","1.098","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218908","14.744","0.007","16.525","0.008","19.87","0.009","90","","102.968","0.009","90","","4718","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H74 Mn4 N14 O23 -","- C74 H74 Mn4 N14 O23 -","- C148 H148 Mn8 N28 O46 -","2","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.1774","0.0983","","","0.262","0.2856","","","","","","1.026","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218909","26.655","0.0004","26.655","0.0004","85.13","0.003","90","","90","","120","","52381","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C276 H198 N42 O86 Zn23 -","- C276 H198 N42 O86 Zn23 -","- C1656 H1188 N252 O516 Zn138 -","6","0.166667","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.103","0.0798","","","0.2348","0.255","","","","","","1.225","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218910","9.862","0.002","13.348","0.003","18.934","0.004","75.217","0.005","81.616","0.005","88.983","0.005","2383.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 Co3 N7 O15 -","- C41 H44 Co3 N7 O15 -","- C82 H88 Co6 N14 O30 -","2","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.1009","0.0572","","","0.1377","0.1592","","","","","","1.031","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218911","15.281","0.003","15.431","0.003","17.911","0.004","99.573","0.009","113.073","0.009","102.518","0.01","3641.8","1.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","4-Phenyl-Pyridine-N-oxide b-cyclodextrin hendecahydrate","","- C106 H202 N2 O94 -","- C106 H158 N2 O94.0001 -","- C106 H158 N2 O94.0001 -","1","1","","Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.","Studies on polymorph conversion in a new cyclodextrin inclusion compound","CrystEngComm","2015","17","4","937","","10.1039/C4CE02041C","","","0.71073","MoKα","","0.1808","0.1384","","","0.3494","0.3831","","","","","","1.405","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218912","18.7766","0.0006","24.6489","0.0008","15.3471","0.0005","90","","109.642","0.002","90","","6689.7","0.4","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-Phenylpyridine-N-oxide beta-cyclodextrin nonahydrate","","- C53 H97 N O45 -","- C53 H79 N O45 -","- C212 H316 N4 O180 -","4","1","","Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.","Studies on polymorph conversion in a new cyclodextrin inclusion compound","CrystEngComm","2015","17","4","937","","10.1039/C4CE02041C","","","0.71073","MoKα","","0.1439","0.0688","","","0.1592","0.197","","","","","","1.013","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218913","21.2603","0.0017","42.109","0.004","5.7891","0.0005","90","","90","","90","","5182.7","0.8","223","2","223","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C280 H192 Cl16 N16 -","8","0.5","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0746","0.0668","","","0.1405","0.1441","","","","","","1.227","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218914","10.3943","0.0005","17.4818","0.001","15.6814","0.0008","90","","97.686","0.001","90","","2823.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl2 N2 O -","- C36 H28 Cl2 N2 O -","- C144 H112 Cl8 N8 O4 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0756","0.0597","","","0.1314","0.139","","","","","","1.092","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218915","10.4238","0.0006","17.4861","0.001","15.9174","0.0008","90","","98.41","0.002","90","","2870.1","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Cl2 N2 O -","- C37 H30 Cl2 N2 O -","- C148 H120 Cl8 N8 O4 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.1249","0.0926","","","0.1737","0.1856","","","","","","1.223","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218916","10.462","0.0005","17.5011","0.0008","15.8272","0.0008","90","","95.53","0.001","90","","2884.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 N2 O2 -","- C37 H28 Cl2 N2 O2 -","- C148 H112 Cl8 N8 O8 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0561","0.0483","","","0.1292","0.1352","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218917","13.0951","0.0006","14.1332","0.0008","19.6616","0.0009","90","","100.161","0.003","90","","3581.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Co N4 O8 -","- C33 H36 Co N4 O8 -","- C132 H144 Co4 N16 O32 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1699","0.1019","","","0.2624","0.2956","","","","","","1.131","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218918","12.9014","0.0003","15.0969","0.0004","12.6756","0.0003","90","","102.381","0.002","90","","2411.42","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N2 O6 -","- C25 H25 Co N2 O6 -","- C100 H100 Co4 N8 O24 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0841","0.0483","","","0.1016","0.1128","","","","","","1.013","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218919","21.3167","0.0011","12.3112","0.0007","21.2392","0.001","90","","92.816","0.003","90","","5567.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Co N2 O5 -","- C24 H21 Co N2 O5 -","- C192 H168 Co8 N16 O40 -","8","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0903","0.0585","","","0.1315","0.1415","","","","","","1.07","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218920","13.6257","0.0007","25.2675","0.0012","16.8185","0.0008","90","","105.815","0.002","90","","5571.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H66 Co2 N4 O19 -","- C53 H38 Co2 N4 O19 -","- C212 H152 Co8 N16 O76 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0608","0.0472","","","0.1204","0.1289","","","","","","1.022","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218921","30.8856","0.0019","17.8569","0.0011","14.1653","0.0009","90","","114.268","0.003","90","","7122.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Co F6 N4 O8 -","- C35 H34 Co F6 N4 O8 -","- C280 H272 Co8 F48 N32 O64 -","8","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1205","0.078","","","0.2016","0.2233","","","","","","1.069","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218922","10.3211","0.0002","30.3501","0.0006","10.8873","0.0002","90","","103.219","0.001","90","","3320.04","0.11","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Co N4 O9 S -","- C32 H32 Co N4 O9 S -","- C128 H128 Co4 N16 O36 S4 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1305","0.0529","","","0.0801","0.0995","","","","","","1.006","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218923","7.9","0.0002","23.1582","0.0007","8.7135","0.0002","90","","107.904","0.001","90","","1516.93","0.07","296","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-2-(ethoxycarbonyl)-3-[(2-ethoxyphenyl)amino]acrylic acid","","- C15 H17 N O6 -","- C15 H17 N O6 -","- C60 H68 N4 O24 -","4","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0906","0.0527","","","0.1583","0.1918","","","","","","0.922","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218924","7.0418","0.0013","7.5275","0.0014","11.444","0.002","84.212","0.009","75.935","0.009","82.835","0.009","582.26","0.19","296","2","296","","","","","","","","","4","P -1","-P 1","2","","(2E)-2-(ethoxycarbonyl)-3-(phenylamino)prop-2-enoic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0692","0.0473","","","0.1314","0.1492","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218925","6.8768","0.0002","7.5092","0.0003","12.8653","0.0004","93.415","0.002","104.473","0.002","95.382","0.002","638.06","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2E)-2-(ethoxycarbonyl)-3-[(4-methylphenyl)amino]prop-2-enoic acid","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0618","0.0393","","","0.0961","0.1081","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218926","7.0837","0.0002","7.4404","0.0002","12.4791","0.0004","92.127","0.002","105.123","0.002","97.607","0.002","627.59","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2E)-3-[(4-chlorophenyl)amino]-2-(ethoxycarbonyl)prop-2-enoic acid","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C24 H24 Cl2 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0722","0.0493","","","0.1426","0.1639","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218927","11.423","0.0007","8.6148","0.0005","13.9893","0.0009","90","","112.165","0.004","90","","1274.91","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-2-(ethoxycarbonyl)-3-[(3-nitrophenyl)amino]prop-2-enoic acid","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0538","0.0391","","","0.0937","0.102","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218928","10.77","0.0011","14.5781","0.0014","15.7165","0.0018","66.116","0.001","71.702","0.002","68.82","0.001","2062.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N12 O Pb -","- C20 H16 N12 O Pb -","- C80 H64 N48 O4 Pb4 -","4","2","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.0775","0.0591","","","0.1444","0.1565","","","","","","0.988","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218929","19.2296","0.0018","13.2582","0.0012","13.4958","0.0013","90","","129.226","0.002","90","","2665.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N12 Ni O6 -","- C20 H26 N12 Ni O6 -","- C80 H104 N48 Ni4 O24 -","4","0.5","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.1135","0.0615","","","0.1254","0.1459","","","","","","0.898","","","","has coordinates,has disorder","301864","2025-08-22","15:14:38",""
"7218930","18.96","0.04","12.97","0.04","13.27","0.04","90","","129.51","0.05","90","","2518","12","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Co N12 O6 -","- C20 H26 Co N12 O6 -","- C80 H104 Co4 N48 O24 -","4","0.5","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.154","0.0888","","","0.2251","0.297","","","","","","0.991","","","","has coordinates,has disorder","301864","2025-08-22","15:14:38",""
"7218931","8.896","0.003","8.896","0.003","12.637","0.004","90","","90","","90","","1000.1","0.6","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C4 I12 N4 Pb4 -","4","0.25","","Dang, Yangyang; Liu, Yang; Sun, Youxuan; Yuan, Dongsheng; Liu, Xiaolong; Lu, Weiqun; Liu, Guangfeng; Xia, Haibing; Tao, Xutang","Bulk crystal growth of hybrid perovskite material CH3NH3PbI3","CrystEngComm","2015","17","3","665","","10.1039/C4CE02106A","","","0.71073","MoKα","","0.071","0.0644","","","0.1468","0.1494","","","","","","1.223","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218932","10.4466","0.0013","10.4466","0.0013","8.3093","0.0017","90","","90","","120","","785.3","0.2","93","2","93","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","NSBBF","","","- B3 Be3 F4 Na O9 Sr3 -","- B3 Be3 F4 Na O9 Sr3 -","- B9 Be9 F12 Na3 O27 Sr9 -","3","0.166667","","Wang, Xiaoshan; Liu, Lijuan; Wang, Xiaoyang; Bai, Lei; Chen, Chuangtian","Growth and optical properties of the novel nonlinear optical crystal NaSr3Be3B3O9F4","CrystEngComm","2015","17","4","925","","10.1039/C4CE02096K","","","0.71073","MoKα","","0.0305","0.0271","","","0.0632","0.0641","","","","","","0.64","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218933","7.1861","0.0014","7.5759","0.0014","7.6549","0.0014","89.212","0.004","63.414","0.003","64.027","0.003","326.31","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 Cl0 Cu N14 O2 -","- C6 H8 Cu N14 O2 -","- C6 H8 Cu N14 O2 -","1","0.5","","Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli","Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance","Green Chem.","2015","17","2","831","836","10.1039/C4GC02184C","","","0.71073","MoKα","","0.0815","0.0586","","","0.1434","0.1641","","","","","","0.953","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218934","7.404","0.003","9.672","0.003","9.341","0.003","90","","113.02","0.004","90","","615.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H Cu N7 O -","- C3 H Cu N7 O -","- C12 H4 Cu4 N28 O4 -","4","1","","Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli","Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance","Green Chem.","2015","17","2","831","836","10.1039/C4GC02184C","","","0.71073","MoKα","","0.1053","0.0837","","","0.2197","0.2321","","","","","","1.104","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218935","8.63","0.003","9.867","0.003","6.736","0.002","90","","108.297","0.006","90","","544.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H2 Cu N7 -","- C3 H2 Cu N7 -","- C12 H8 Cu4 N28 -","4","1","","Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli","Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance","Green Chem.","2015","17","2","831","836","10.1039/C4GC02184C","","","0.71073","MoKα","","0.1081","0.0775","","","0.1842","0.1993","","","","","","1.008","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218936","4.401","0.0003","12.3035","0.0009","14.8314","0.0011","90","","97.593","0.001","90","","796.04","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis(4-cyanato-3-methoxyphenyl)ethane","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","0.5","","Harvey, Benjamin G.; Guenthner, Andrew J.; Meylemans, Heather A.; Haines, Shannon R. L.; Lamison, Kevin R.; Groshens, Thomas J.; Cambrea, Lee R.; Davis, Matthew C.; Lai, William W.","Renewable thermosetting resins and thermoplastics from vanillin","Green Chem.","2015","17","2","1249","","10.1039/C4GC01825G","","","0.71073","","","0.0474","0.035","","","0.0863","0.0962","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218937","3.8765","0.0004","12.2303","0.0013","16.1995","0.0018","90","","95.906","0.0017","90","","763.95","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis(4-cyanato-3-methoxyphenyl)ethene","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C36 H28 N4 O8 -","2","0.5","","Harvey, Benjamin G.; Guenthner, Andrew J.; Meylemans, Heather A.; Haines, Shannon R. L.; Lamison, Kevin R.; Groshens, Thomas J.; Cambrea, Lee R.; Davis, Matthew C.; Lai, William W.","Renewable thermosetting resins and thermoplastics from vanillin","Green Chem.","2015","17","2","1249","","10.1039/C4GC01825G","","","0.71073","MoKα","","0.0635","0.0406","","","0.0764","0.0892","","","","","","1.03","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218966","4.822","0.002","22.257","0.01","11.408","0.005","90","","93.364","0.004","90","","1222.2","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C–H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0614","0.0527","","","0.1596","0.1799","","","","","","0.872","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218967","7.463","","7.747","","15.435","","94.52","","97.04","","117.68","","774.89","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","2","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C–H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0997","0.0755","","","0.231","0.2758","","","","","","0.974","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218968","28.784","0.019","6.795","0.004","14.074","0.009","90","","94.543","0.009","90","","2744","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C–H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.051","0.0474","","","0.1432","0.1479","","","","","","1.1","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218969","15.0137","0.0018","5.7145","0.0007","17.311","0.002","90","","105.671","0.007","90","","1430","0.3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C–H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0331","0.0302","","","0.0795","0.0814","","","","","","1.063","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218970","3.8793","0.0007","15.208","0.003","23.308","0.004","90","","92.189","0.007","90","","1374.1","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Br Cl2 O -","- C15 H8 Br Cl2 O -","- C60 H32 Br4 Cl8 O4 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0905","0.0509","","","0.0892","0.103","","","","","","1.029","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218971","7.82","0.005","24.093","0.013","7.286","0.004","90","","117.167","0.006","90","","1221.3","1.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F N3 O2 -","- C14 H8 F N3 O2 -","- C56 H32 F4 N12 O8 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C–H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0551","0.0467","","","0.1343","0.1477","","","","","","1.129","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218972","8.781","0.008","9.08","0.01","11.641","0.012","86.17","0.05","69.02","0.04","73.38","0.04","829.8","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C36 H36 N4 O12 -","2","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C–H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0825","0.0608","","","0.1693","0.201","","","","","","1.085","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218973","6.916","0.004","6.922","0.004","11.215","0.008","88.869","0.017","88.15","0.02","72.09","0.02","510.6","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F4 N2 O4 -","- C24 H16 F4 N2 O4 -","- C24 H16 F4 N2 O4 -","1","0.5","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C–H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0543","0.0513","","","0.1458","0.1501","","","","","","1.088","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218974","14.118","0.012","5.881","0.005","15.04","0.013","90","","113.629","0.01","90","","1144","1.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O2 -","- C30 H24 N2 O2 -","- C60 H48 N4 O4 -","2","0.5","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C–H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0998","0.0872","","","0.2784","0.2901","","","","","","1.149","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218975","4.8198","0.0001","21.7824","0.0003","9.3616","0.0002","90","","104.264","0.002","90","","952.54","0.03","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","2-amino-5-nitropyridine:chloroacetic acid","2-amino-5-nitropyridine:chloroacetic acid","","- C7 H8 Cl N3 O4 -","- C7 H8 Cl N3 O4 -","- C28 H32 Cl4 N12 O16 -","4","1","","Sarkar, Sounak; Pavan, Mysore S.; Guru Row, T. N.","Experimental validation of 'pnicogen bonding' in nitrogen by charge density analysis.","Physical chemistry chemical physics : PCCP","2015","17","4","2330","2334","10.1039/c4cp04690k","","","0.71073","MoKα","","0.035","0.025","","","","0.045","","","","","","0.928","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218993","7.4354","0.0015","15.648","0.003","21.424","0.004","90","","90","","90","","2492.7","0.8","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H8 Cl N3 S -","- C14 H8 Cl N3 S -","- C112 H64 Cl8 N24 S8 -","8","1","","Wen, Li-Rong; Li, Shou-Lei; Zhang, Jian; Li, Ming","Convenient synthesis of benzo[4,5]thiazolo[2,3-c][1,2,4]triazoles with 1 mol% CuCl2·2H2O as catalyst in water","Green Chem.","2015","17","3","1581","","10.1039/C4GC02156H","","","0.71073","MoKα","","0.0446","0.0439","","","0.0959","0.0962","","","","","","1.22","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218994","6.66207","0.00009","17.0552","0.0002","15.01109","0.00019","90","","102.416","0.0013","90","","1665.71","0.04","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H26 Cl2 N4 Ni O3 -","- C11 H26 Cl2 N4 Ni O3 -","- C44 H104 Cl8 N16 Ni4 O12 -","4","1","","Neri, Gaia; Walsh, James J.; Wilson, Calum; Reynal, Anna; Lim, Jason Y. C.; Li, Xiaoe; White, Andrew J. P.; Long, Nicholas J.; Durrant, James R.; Cowan, Alexander J.","A functionalised nickel cyclam catalyst for CO2 reduction: electrocatalysis, semiconductor surface immobilisation and light-driven electron transfer.","Physical chemistry chemical physics : PCCP","2015","17","3","1562","1566","10.1039/c4cp04871g","","","1.54184","CuKα","","0.0404","0.0365","","","0.1001","0.1031","","","","","","1.062","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219006","11.0519","0.0008","13.5682","0.0009","19.4863","0.0016","107.546","0.002","96.181","0.001","109.124","0.002","2562.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H31 N5 O2 -","- C30 H31 N5 O2 -","- C120 H124 N20 O8 -","4","2","","Fu, Lei; Feng, Xian; Zhang, Juan-Juan; Hu, Jun-Die; Xun, Zhan; Wang, Jian-Jun; Huang, Zhi-Bin; Shi, Da-Qing","Highly efficient construction of a bridged pentacyclic skeleton via a six-component domino reaction under microwave irradiation","Green Chem.","2015","17","3","1535","","10.1039/C4GC01832J","","","0.71073","MoKα","","0.1291","0.0528","","","0.1003","0.1313","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219007","18.6242","0.0019","10.3311","0.0007","29.295","0.003","90","","106.496","0.002","90","","5404.6","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 N5 O2 -","- C31 H33 N5 O2 -","- C248 H264 N40 O16 -","8","2","","Fu, Lei; Feng, Xian; Zhang, Juan-Juan; Hu, Jun-Die; Xun, Zhan; Wang, Jian-Jun; Huang, Zhi-Bin; Shi, Da-Qing","Highly efficient construction of a bridged pentacyclic skeleton via a six-component domino reaction under microwave irradiation","Green Chem.","2015","17","3","1535","","10.1039/C4GC01832J","","","0.71073","MoKα","","0.1669","0.0641","","","0.1687","0.2661","","","","","","1.064","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219008","11.225","0.002","31.408","0.006","13.382","0.003","90","","104.79","0.03","90","","4561.6","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Br2 Mo12 N6 O52 S -","- C60 H72 Br2 Mo12 N6 O52 S -","- C120 H144 Br4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0379","0.0304","","","0.0685","0.072","","","","","","1.038","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219009","11.273","0.002","31.417","0.006","13.312","0.003","90","","105.12","0.03","90","","4551.4","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Cl2 Mo12 N6 O52 S -","- C60 H72 Cl2 Mo12 N6 O52 S -","- C120 H144 Cl4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0441","0.0314","","","0.0645","0.0814","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219010","11.31","0.002","31.231","0.006","13.308","0.003","90","","105.06","0.03","90","","4539.2","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 F2 Mo12 N6 O52 S -","- C60 H72 F2 Mo12 N6 O52 S -","- C120 H144 F4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0415","0.0382","","","0.0981","0.101","","","","","","1.13","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219011","11.113","0.002","31.24","0.006","13.533","0.003","90","","103.97","0.03","90","","4559.3","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 I2 Mo12 N6 O52 S -","- C60 H74 I2 Mo12 N6 O52 S -","- C120 H148 I4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0368","0.0305","","","0.0741","0.085","","","","","","1.088","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219020","12.1523","0.0017","12.5597","0.0019","14.3332","0.0014","104.789","0.011","102.134","0.01","107.641","0.013","1915","0.5","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H56 O10 -","- C42 H56 O10 -","- C84 H112 O20 -","2","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0937","0.0631","","","0.1449","0.1768","","","","","","1.082","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219021","12.6722","0.0004","15.1699","0.0005","22.9465","0.0011","90","","90","","90","","4411.1","0.3","173","2","173.15","","","","","","","","","5","P n n n","-P 2ab 2bc","48","","","","- C85 H122 Cl N O22 -","- C85 H122 Cl N O22 -","- C170 H244 Cl2 N2 O44 -","2","","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0806","0.0626","","","0.1836","0.205","","","","","","1.048","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219022","12.6356","0.0002","15.106","0.0002","23.0509","0.0003","90","","90","","90","","4399.8","0.11","123.01","0.1","123.01","0.1","","","","","","","","5","P n n n","-P 2ab 2bc","48","","","","- C90 H140 Cl N O26 -","- C90 H140 Cl N O26 -","- C180 H280 Cl2 N2 O52 -","2","","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","1.54184","CuKα","","0.0724","0.0677","","","0.1868","0.1921","","","","","","1.037","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219023","11.48122","0.00017","11.7421","0.0002","17.0131","0.0003","102.669","0.0014","92.3148","0.0013","102.562","0.0014","2174.81","0.07","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C78 H113.2 Cl N O35.6 -","- C78 H113.2 Cl N O35.6 -","- C78 H113.2 Cl N O35.6 -","1","0.5","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0916","0.0871","","","0.2544","0.2596","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219024","22.4355","0.0013","12.3522","0.0006","15.3459","0.0007","90","","90","","90","","4252.8","0.4","173","2","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H66 Cl N O11 -","- C42 H56 Cl N O8 -","- C168 H224 Cl4 N4 O32 -","4","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","x-ray","0.71073","MoKα","","0.113","0.0793","","","0.1485","0.1652","","","","","","1.018","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219025","11.509","0.0003","11.5275","0.0002","18.1749","0.0004","94.3636","0.0017","101.915","0.0018","97.347","0.0018","2326.86","0.09","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 Cl2 N2 O13 -","- C45 H68.6 Cl2 N2 O13 -","- C90 H137.2 Cl4 N4 O26 -","2","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","x-ray","1.54184","CuKα","","0.0639","0.0562","","","0.159","0.1638","","","","","","1.017","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219026","16.209","0.003","15.443","0.003","16.537","0.003","90","","90","","90","","4139.5","1.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H26 F3 K O9 S -","- C13 H26 F3 K O9 S -","- C104 H208 F24 K8 O72 S8 -","8","1","","Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.","Physical chemistry chemical physics : PCCP","2015","17","4","2838","2849","10.1039/c4cp05017g","","","0.71075","MoKα","","","0.0534","","","","0.1354","","","","","","1.149","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219027","8.6188","0.0006","16.5613","0.001","14.2025","0.0011","90","","95.439","0.004","90","","2018.1","0.2","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 F3 K O9 S -","- C13 H24 F3 K O9 S -","- C52 H96 F12 K4 O36 S4 -","4","1","","Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.","Physical chemistry chemical physics : PCCP","2015","17","4","2838","2849","10.1039/c4cp05017g","","","0.71075","MoKα","","","0.0798","","","","0.2249","","","","","","1.073","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219028","7.84","0.003","10.813","0.005","11.426","0.005","90","","90","","90","","968.6","0.7","173","","173","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C12 H24 F6 K O6 P -","- C12 H24 F6 K O6 P -","- C24 H48 F12 K2 O12 P2 -","2","0.5","","Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.","Physical chemistry chemical physics : PCCP","2015","17","4","2838","2849","10.1039/c4cp05017g","","","0.71075","MoKα","","","0.054","","","","0.1643","","","","","","1.06","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219029","8.182","0.003","14.222","0.004","7.709","0.003","90","","98.717","0.005","90","","886.7","0.5","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 K N O6 S -","- C13 H24 K N O6 S -","- C26 H48 K2 N2 O12 S2 -","2","0.5","","Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.","Physical chemistry chemical physics : PCCP","2015","17","4","2838","2849","10.1039/c4cp05017g","","","0.71075","MoKα","","","0.0473","","","","0.1252","","","","","","1.125","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219037","14.097","0.0019","14.2015","0.0019","14.2649","0.0019","115.663","0.001","113.627","0.001","97.603","0.002","2190.6","0.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","PCN-514-DMA complex","","- C80 H90 Cd4 N6 O24 Si2 -","- C80 H90 Cd4 N6 O24 Si2 -","- C80 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","x-ray","0.71073","MoKα","","0.0269","0.0239","","","0.0602","0.062","","","","","","1.045","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219038","26.567","0.005","14.332","0.003","25.354","0.007","90","","119.2","0.002","90","","8427","3","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","PCN-518","","- C224 H128 Cd12 O64 Si8 -","- C224 H128 Cd12 O64 Si8 -","- C224 H128 Cd12 O64 Si8 -","1","0.125","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","x-ray","0.71073","MoKα","","0.0304","0.0271","","","0.0754","0.0767","","","","","","1.059","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219039","22.76","0.0009","25.263","0.0011","24.146","0.0011","90","","116.121","0.008","90","","12465.6","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C208 H241 Cu4 N24 O52 -","- C136 H72 Cu4 O28 -","- C272 H144 Cu8 O56 -","2","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","0.71073","MoKα","","0.0797","0.0638","","","0.1736","0.1829","","","","","","1.028","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219040","24.3004","0.0005","24.3004","0.0005","17.1699","0.0005","90","","90","","90","","10139","0.4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C51 H79 Cu N5 O12 -","- C36 H24 Cu O7 -","- C288 H192 Cu8 O56 -","8","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","1.54178","CuKα","","0.0682","0.0626","","","0.1822","0.194","","","","","","1.036","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219041","14.5192","0.0008","4.971","0.0002","16.4551","0.0007","90","","106.074","0.005","90","","1141.21","0.1","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate","","- C12 H11 F N2 O2 -","- C12 H11 F N2 O2 -","- C48 H44 F4 N8 O8 -","4","1","","Marković, Violeta; Joksović, Milan D.","“On water” synthesis of N-unsubstituted pyrazoles: semicarbazide hydrochloride as an alternative to hydrazine for preparation of pyrazole-3-carboxylate derivatives and 3,5-disubstituted pyrazoles","Green Chem.","2015","17","2","842","","10.1039/C4GC02028F","","x-ray","0.71073","MoKα","","0.0685","0.0483","","","0.1277","0.1422","","","","","","1.04","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219043","9.802","0.0015","11.0335","0.0017","12.7221","0.0015","87.172","0.007","84.52","0.007","85.678","0.007","1364.5","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine","","- C16 H13 N5 -","- C16 H13 N5 -","- C64 H52 N20 -","4","2","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.128","0.0559","","","0.1008","0.1338","","","","","","0.986","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219044","10.9614","0.0006","20.1743","0.0011","8.7356","0.0005","90","","101.49","0.003","90","","1893.06","0.18","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","E,E-N3,N3'-Bis(2-pyridylmethylene)-(2,2'-bipyridine)-3,3'-diamine","","- C22 H16 N6 -","- C22 H16 N6 -","- C88 H64 N24 -","4","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0869","0.0529","","","0.0994","0.111","","","","","","1.098","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219045","8.2407","0.0009","10.3017","0.0011","15.4495","0.0016","103.709","0.012","98.082","0.012","101.143","0.013","1226","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine] copper(II)(hfac)(triflate)","","- C23 H14 Cu F9 N5 O4 -","- C23 H14 Cu F9 N5 O4 -","- C46 H28 Cu2 F18 N10 O8 -","2","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0661","0.0422","","","0.1056","0.1305","","","","","","1.082","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219046","4.9022","0.0006","13.8842","0.0015","15.385","0.002","90","","99.095","0.016","90","","1034","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N3,N3-Bis(Methoxy(pyridin-2-yl)methyl)-2,2-bipyridine-3,3-diamine","","- C24 H24 N6 O2 -","- C24 H24 N6 O2 -","- C48 H48 N12 O4 -","2","0.5","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0774","0.0352","","","0.0728","0.0833","","","","","","0.826","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219047","9.5227","0.0008","12.9131","0.0011","13.7732","0.0011","80.759","0.01","80.757","0.01","84.987","0.01","1646.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[5-(2'-Pyridinoyl)-6-(pyrid-2-yl)-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine] complex with Zn(hfac)2","","- C32 H16 F12 N6 O5 Zn -","- C32 H16 F12 N6 O5 Zn -","- C64 H32 F24 N12 O10 Zn2 -","2","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0831","0.0465","","","0.1089","0.1291","","","","","","0.902","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219056","9.85327","0.00019","11.5888","0.0003","34.7326","0.0007","90","","95.691","0.002","90","","3946.48","0.15","120","2","120","2","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","N1,N1'-(buta-1,3-diyne-1,4-diylbis(4,1-phenylene))bis (N1-(4-(dimethylamino)phenyl)-N4,N4-dimethylbenzene-1,4-diamine)","","- C48 H48 N6 -","- C48 H48 N6 -","- C192 H192 N24 -","4","1","","Abate, Antonio; Planells, Miquel; Hollman, Derek J.; Barthi, Vishal; Chand, Suresh; Snaith, Henry J.; Robertson, Neil","Hole-transport materials with greatly-differing redox potentials give efficient TiO2-[CH3NH3][PbX3] perovskite solar cells.","Physical chemistry chemical physics : PCCP","2015","17","4","2335","2338","10.1039/c4cp04685d","","x-ray","1.54184","CuKα","","0.0976","0.0621","","","0.1514","0.1717","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219064","22.744","0.006","12.83","0.004","8.896","0.003","90","","93.181","0.005","90","","2591.9","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cu N2 O4 -","- C11 H15 Cu N2 O4 -","- C88 H120 Cu8 N16 O32 -","8","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0662","0.0411","","","0.0913","0.1039","","","","","","1.052","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219065","8.524","0.003","18.381","0.007","18.735","0.008","90","","98.788","0.008","90","","2900.9","1.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H74 Cu2 N16 O8 -","- C56 H74 Cu2 N16 O8 -","- C112 H148 Cu4 N32 O16 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0539","0.0436","","","0.0984","0.1052","","","","","","1.018","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219066","19.944","0.004","14.835","0.003","18.434","0.004","90","","90","","90","","5454","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 Cu N6 O4.5 -","- C24 H36 Cu N6 O4.5 -","- C192 H288 Cu8 N48 O36 -","8","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.088","0.0495","","","0.1145","0.1388","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219067","19.048","0.008","11.728","0.005","12.28","0.006","90","","104.772","0.008","90","","2653","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu2 N4 O10 -","- C26 H24 Cu2 N4 O10 -","- C104 H96 Cu8 N16 O40 -","4","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.1204","0.0555","","","0.1086","0.1422","","","","","","0.973","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219068","11.5514","0.001","8.5414","0.0008","18.5063","0.0017","90","","90","","90","","1825.9","0.3","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H18 Cu N4 O4 -","- C18 H18 Cu N4 O4 -","- C72 H72 Cu4 N16 O16 -","4","0.5","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0631","0.0382","","","0.115","0.1594","","","","","","1.077","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219069","11.141","0.002","11.587","0.002","12.965","0.003","108.642","0.003","100.671","0.004","91.455","0.004","1552","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cu2 N4 O9 -","- C30 H32 Cu2 N4 O9 -","- C60 H64 Cu4 N8 O18 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.1184","0.0675","","","0.169","0.239","","","","","","1.119","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219070","11.5804","0.0016","11.6236","0.0016","12.3308","0.0018","113.262","0.002","114.306","0.002","96.107","0.002","1316.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu2 N4 O8 -","- C25 H29 Cu2 N4 O8 -","- C50 H58 Cu4 N8 O16 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.0737","0.0446","","","0.0994","0.109","","","","","","0.903","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219071","8.394","0.003","5.7287","0.0018","9.35","0.003","90","","115.074","0.004","90","","407.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 Cu N5 -","- C7 H6 Cu N5 -","- C14 H12 Cu2 N10 -","2","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.051","0.037","","","0.0797","0.0866","","","","","","1.009","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219072","7.1396","0.0002","15.8266","0.0003","8.6026","0.0002","90","","100.464","0.001","90","","955.89","0.04","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H6 Cl N5 Zn -","- C7 H6 Cl N5 Zn -","- C28 H24 Cl4 N20 Zn4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0223","0.021","","","0.0428","0.0433","","","","","","1.001","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219073","9.4625","0.0003","10.8617","0.0004","10.8624","0.0004","61.068","0.002","79.796","0.002","71.95","0.002","928.5","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Cd3 N26 -","- C28 H24 Cd3 N26 -","- C28 H24 Cd3 N26 -","1","0.5","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0818","0.0485","","","0.107","0.1238","","","","","","0.99","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219074","8.8772","0.0007","9.1848","0.0007","12.0335","0.001","90","","94.284","0.001","90","","978.41","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Cl N5 Zn -","- C7 H6 Cl N5 Zn -","- C28 H24 Cl4 N20 Zn4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0632","0.0545","","","0.1652","0.1727","","","","","","1.097","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219075","12.396","0.002","6.7324","0.0012","13.672","0.002","90","","90","","90","","1141","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H9 N5 O6 S Zn2 -","- C7 H9 N5 O6 S Zn2 -","- C28 H36 N20 O24 S4 Zn8 -","4","0.5","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0652","0.0633","","","0.1557","0.1566","","","","","","1.008","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219076","12.9012","0.0013","14.0247","0.0014","7.0282","0.0007","90","","90","","90","","1271.7","0.2","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd2 N5 O6 S -","- C7 H9 Cd2 N5 O6 S -","- C28 H36 Cd8 N20 O24 S4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0198","0.0192","","","0.0464","0.047","","","","","","1.089","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219082","9.6484","0.0006","11.7939","0.0007","11.8603","0.0005","73.671","0.004","67.426","0.005","74.356","0.005","1175.85","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Mg2 O14 S2 -","- C18 H22 Mg2 O14 S2 -","- C36 H44 Mg4 O28 S4 -","2","1","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","0.71073","MoKα","","0.0615","0.0499","","","0.1238","0.132","","","","","","1.007","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219083","10.6233","0.0003","14.7624","0.0005","15.8152","0.0004","76.453","0.002","74.011","0.002","70.088","0.003","2214.51","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Mg4 O20 S8 -","- C32 H32 Mg4 O20 S8 -","- C64 H64 Mg8 O40 S16 -","2","1","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","1.54184","CuKα","","0.068","0.0626","","","0.1585","0.1632","","","","","","1.011","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219084","22.2398","0.0001","22.2398","0.0001","12.301","0.0001","90","","90","","90","","6084.18","0.06","100","2","100","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C22 H29.5 Mg2 N2.5 O12 S2 -","- C14 H7 Mg2 O10 S2 -","- C112 H56 Mg16 O80 S16 -","8","0.5","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","1.54178","CuKα","","0.0323","0.0308","","","0.0898","0.0917","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219085","12.9363","0.0006","15.858","0.0008","9.0474","0.0007","90","","120.978","0.01","90","","1591.3","0.2","295","2","295","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C23 H34 Mg2 N3 O14 S2 -","- C23 H34 Mg2 N3 O14 S2 -","- C46 H68 Mg4 N6 O28 S4 -","2","0.5","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","0.71073","MoKα","","0.0507","0.0443","","","0.1087","0.1158","","","","","","1.038","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219086","17.8916","0.0015","19.6745","0.0017","19.088","0.002","90","","90","","90","","6719.1","1.1","123","","123","","","","","","","","M.Klein","7","P n a 21","P 2c -2n","33","","","","- C58 H60 Cl12 Co N8 O2 S2 -","- C58 H60 Cl12 Co N8 O2 S2 -","- C232 H240 Cl48 Co4 N32 O8 S8 -","4","1","","Maximilian Klein, Y.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro","A 3-dimensional {42·84}lvtnet built from a ditopic bis(3,2′:6′,3″-terpyridine) tecton bearing long alkyl tails","CrystEngComm","2015","17","10","2070","","10.1039/C4CE02347A","","","1.54178","CuKα","","0.1464","0.1343","","0.3268","0.317","0.3268","","","","","","1.0827","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219087","6.3606","0.0008","8.016","0.001","20.077","0.003","90","","93.498","0.002","90","","1021.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag N3 O2 -","- C10 H8 Ag N3 O2 -","- C40 H32 Ag4 N12 O8 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0283","0.0259","","","0.0712","0.0725","","","","","","1.078","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219088","23.034","0.008","9.401","0.003","9.582","0.003","90","","104.962","0.004","90","","2004.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N6 O5 -","- C20 H17 Cu N6 O5 -","- C80 H68 Cu4 N24 O20 -","4","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0686","0.0414","","","0.0864","0.0989","","","","","","1.015","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219089","23.812","0.005","8.411","0.0015","10.8594","0.0019","90","","111.132","0.004","90","","2028.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Eu N6 O6 -","- C21 H16 Eu N6 O6 -","- C84 H64 Eu4 N24 O24 -","4","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0438","0.0363","","","0.0775","0.0819","","","","","","1.057","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219090","10.788","0.0012","25.337","0.003","9.4619","0.001","90","","97.026","0.001","90","","2566.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Ag N4 O4 -","- C30 H23 Ag N4 O4 -","- C120 H92 Ag4 N16 O16 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0593","0.0383","","","0.0843","0.0946","","","","","","1.001","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219091","14.578","0.003","5.8741","0.0014","15.358","0.004","90","","96.23","0.003","90","","1307.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cu N4 O4 -","- C30 H22 Cu N4 O4 -","- C60 H44 Cu2 N8 O8 -","2","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0364","0.0299","","","0.0773","0.0818","","","","","","1.028","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219092","17.931","0.004","8.4694","0.0019","26.347","0.006","90","","93.148","0.003","90","","3995.1","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Eu N6 O6 -","- C45 H33 Eu N6 O6 -","- C180 H132 Eu4 N24 O24 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0831","0.0559","","","0.1463","0.1629","","","","","","1.057","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219093","13.883","0.003","14.024","0.003","15.361","0.004","109.019","0.003","106.371","0.002","98.531","0.004","2616","1.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 N6 Nd2 O9 Si4 -","- C88 H124 N6 Nd2 O9 Si4 -","- C88 H124 N6 Nd2 O9 Si4 -","1","0.5","","Cheng, Hao; Zhao, Bei; Yao, Yingming; Lu, Chengrong","Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate) rare-earth metal amides","Green Chem.","2015","17","3","1675","","10.1039/C4GC02200A","","","0.71075","MoKα","","0.0957","0.0737","","","0.1654","0.1846","","","","","","1.105","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219094","13.963","0.002","14.045","0.002","15.374","0.003","108.936","0.002","106.425","0.002","98.499","0.002","2638.4","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 La2 N6 O9 Si4 -","- C88 H124 La2 N6 O9 Si4 -","- C88 H124 La2 N6 O9 Si4 -","1","0.5","","Cheng, Hao; Zhao, Bei; Yao, Yingming; Lu, Chengrong","Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate) rare-earth metal amides","Green Chem.","2015","17","3","1675","","10.1039/C4GC02200A","","","0.71075","MoKα","","0.0675","0.0564","","","0.1586","0.1682","","","","","","1.053","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219095","13.74","0.02","14","0.04","15.31","0.03","109.27","0.07","106.002","0.004","98.57","0.02","2577","10","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 N6 O9 Si4 Y2 -","- C88 H148 N6 O9 Si4 Y2 -","- C88 H148 N6 O9 Si4 Y2 -","1","0.5","","Cheng, Hao; Zhao, Bei; Yao, Yingming; Lu, Chengrong","Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate) rare-earth metal amides","Green Chem.","2015","17","3","1675","","10.1039/C4GC02200A","","","0.71075","MoKα","","0.1288","0.0897","","","0.2305","0.2559","","","","","","1.06","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219096","6.8141","0.0005","7.9189","0.0008","8.5887","0.0006","90","","90","","90","","463.45","0.07","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0406","0.033","","","0.0751","0.0777","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219097","6.797","0.0005","7.9162","0.0008","8.5951","0.0006","90","","90","","90","","462.47","0.07","275","2","275","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0414","0.0341","","","0.0747","0.0769","","","","","","1.085","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219098","6.7737","0.0005","7.917","0.0008","8.5989","0.0005","90","","90","","90","","461.14","0.06","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0389","0.0314","","","0.0701","0.0725","","","","","","1.096","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219099","6.7518","0.0004","7.9135","0.0007","8.6022","0.0005","90","","90","","90","","459.62","0.06","225","2","225","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.035","0.029","","","0.0636","0.0649","","","","","","1.066","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219100","6.7285","0.0004","7.9107","0.0007","8.6056","0.0005","90","","90","","90","","458.05","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0342","0.0291","","","0.0672","0.0687","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219101","6.7099","0.0004","7.909","0.0007","8.6098","0.0005","90","","90","","90","","456.91","0.06","175","2","175","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0308","0.0265","","","0.0617","0.0628","","","","","","1.074","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219102","6.6925","0.0004","7.9071","0.0007","8.6136","0.0005","90","","90","","90","","455.82","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0293","0.0254","","","0.0633","0.0646","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219103","6.6768","0.0004","7.9039","0.0007","8.6154","0.0005","90","","90","","90","","454.66","0.06","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0291","0.026","","","0.0605","0.0612","","","","","","1.076","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219104","6.6605","0.0004","7.9","0.0007","8.617","0.0005","90","","90","","90","","453.41","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0284","0.0252","","","0.0591","0.0601","","","","","","1.093","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219105","14.5652","0.0016","6.8755","0.0006","6.1405","0.0005","90","","90","","90","","614.93","0.1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.056","0.0402","","","0.0969","0.1036","","","","","","1.051","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219106","14.5609","0.0016","6.8598","0.0006","6.129","0.0005","90","","90","","90","","612.19","0.1","275","2","275","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0575","0.0416","","","0.0966","0.1031","","","","","","1.055","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219107","14.5561","0.0015","6.8446","0.0005","6.1179","0.0005","90","","90","","90","","609.53","0.09","250","2","250","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0563","0.0404","","","0.0956","0.1024","","","","","","1.076","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219108","14.5514","0.0015","6.8288","0.0005","6.1066","0.0005","90","","90","","90","","606.8","0.09","225","2","225","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0537","0.041","","","0.0951","0.0997","","","","","","1.077","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219109","14.5449","0.0014","6.8144","0.0005","6.0963","0.0004","90","","90","","90","","604.23","0.08","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0484","0.0375","","","0.0886","0.0929","","","","","","1.083","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219110","14.5416","0.0013","6.8003","0.0004","6.0871","0.0004","90","","90","","90","","601.94","0.08","175","2","175","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0453","0.0365","","","0.0882","0.0916","","","","","","1.101","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219111","14.5379","0.0013","6.7879","0.0004","6.0772","0.0004","90","","90","","90","","599.71","0.08","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0451","0.0369","","","0.0893","0.0924","","","","","","1.083","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219112","14.534","0.0013","6.777","0.0004","6.0668","0.0004","90","","90","","90","","597.56","0.08","125","2","125","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.045","0.0359","","","0.0876","0.0912","","","","","","1.079","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219113","14.5314","0.0013","6.7663","0.0004","6.0577","0.0004","90","","90","","90","","595.62","0.08","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(Trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0433","0.0347","","","0.0839","0.0871","","","","","","1.102","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219116","10.882","0.002","11.587","0.002","13.273","0.003","113.3","0.03","96.32","0.03","95.46","0.03","1510","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 Cu3 N8 O40 Si W12 -","- C33 H24 Cu3 N8 O40 Si W12 -","- C33 H24 Cu3 N8 O40 Si W12 -","1","0.5","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.1029","0.0688","","","0.1515","0.1758","","","","","","1.064","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219117","23.402","0.002","21.76","0.002","26.461","0.003","90","","116.239","0.002","90","","12086","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Cu3 Mo12 N8 O40.5 P -","- C35 H30 Cu3 Mo12 N8 O40.5 P -","- C280 H240 Cu24 Mo96 N64 O324 P8 -","8","1","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.0886","0.0549","","","0.1388","0.1555","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219118","10.8252","0.0014","10.8613","0.0014","23.243","0.003","90","","104.379","0.005","90","","2647.2","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cu2 Mo12 N6 O40 P -","- C25 H16 Cu2 Mo12 N6 O40 P -","- C50 H32 Cu4 Mo24 N12 O80 P2 -","2","0.5","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.071","0.0566","","","0.1359","0.1454","","","","","","1.015","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219119","22.726","0.004","15.455","0.003","12.036","0.002","90","","115.17","0.03","90","","3826","1.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C54 H44 Cu2 N10 O42 P W12 -","- C54 H40 Cu2 N10 O42 P W12 -","- C108 H80 Cu4 N20 O84 P2 W24 -","2","0.25","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.1086","0.1017","","","0.2294","0.2347","","","","","","1.027","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219120","54.695","0.002","9.8891","0.0004","16.877","0.0006","90","","92.628","0.005","90","","9118.9","0.6","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","12-2Ar","","- C42 H80 Br2 N2 O3 -","- C42 H80 Br2 N2 O3 -","- C336 H640 Br16 N16 O24 -","8","1","","Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Effect of 1D twisted water chains confined in channels formed by a Gemini amphiphile on its crystal stability","CrystEngComm","2015","17","6","1439","","10.1039/C4CE01879F","","","1.54178","CuKα","","0.1484","0.1241","","","0.3079","0.3304","","","","","","1.172","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219121","5.3146","0.0008","11.977","0.0018","19.719","0.003","90","","90","","90","","1255.2","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0212","0.0181","","","0.0459","0.0472","","","","","","1.088","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219122","11.823","0.002","5.3348","0.0011","20.053","0.004","90","","94.81","0.003","90","","1260.4","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0386","0.0344","","","0.0776","0.0808","","","","","","1.025","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219123","11.289","0.002","8.0295","0.0011","14.209","0.004","90","","101.506","0.003","90","","1262.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","2","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0277","0.0266","","","0.062","0.0628","","","","","","1.042","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219124","11.6229","0.0004","8.0177","0.0003","26.8738","0.001","90","","93.789","0.001","90","","2498.87","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C96 H96 Cd8 O48 -","8","2","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0465","0.042","","","0.0946","0.0972","","","","","","1.159","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219125","6.894","0.0011","7.6323","0.0012","9.9174","0.0015","79.286","0.002","71.221","0.002","81.683","0.002","483.41","0.13","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","1","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0526","0.0484","","","0.1074","0.1098","","","","","","1.17","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219126","13.493","0.006","7.8123","0.0033","6.585","0.0027","90","","100.294","0.0021","90","","683","0.5","293","","293","","","","","","","","see text","6","P 1 21 1","P 2yb","4","cocrystal (I) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C22 H30 B2 I2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.0619","","1.95","","","","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219127","7.8693","0.0013","5.1027","0.0008","23.951","0.004","90","","90.465","0.003","90","","961.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 B2 N4 O6 -","- C18 H20 B2 N4 O6 -","- C36 H40 B4 N8 O12 -","2","0.5","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0417","0.0373","","","0.1049","0.1086","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219128","26.56","0.011","7.8526","0.0034","6.5921","0.0028","90","","90","","90","","1374.9","1","293","","293","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","cocrystal (II) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C44 H60 B4 I4 N4 O16 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.06323","","2.09","","","","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219129","5.1113","0.0007","11.2936","0.0016","12.0927","0.0017","76.589","0.002","84.831","0.002","78.494","0.002","664.67","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B I N2 O3 -","- C12 H12 B I N2 O3 -","- C24 H24 B2 I2 N4 O6 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0381","0.0327","","","0.074","0.0758","","","","","","1.058","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219130","34.686","0.008","4.0087","0.0009","10.092","0.002","90","","90","","90","","1403.2","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H12 B I N2 O3 -","- C12 H12 B I N2 O3 -","- C48 H48 B4 I4 N8 O12 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0598","0.0531","","","0.1108","0.1135","","","","","","1.163","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219131","12.179","0.005","9.055","0.004","5.6453","0.0022","90","","95.1941","0.0018","90","","620","0.4","293","","293","","","","","","","","see text","5","P 1 21 1","P 2yb","4","cocrystal of phenylboronic acid with L-proline (1:1)","","","- C11 H16 B N O4 -","- C11 H16 B N O4 -","- C22 H32 B2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.11395","","2.97","","","","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219132","7.6856","0.0014","5.8462","0.0011","14.933","0.003","90","","103.953","0.003","90","","651.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 B N O5 -","- C11 H18 B N O5 -","- C22 H36 B2 N2 O10 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0452","0.0434","","","0.1133","0.1146","","","","","","1.136","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219133","5.619","0.0001","12.232","0.0004","8.384","0.0003","90","","104.304","0.0012","90","","558.38","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0245","0.0239","","","0.0567","0.057","","","","","","1.079","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219134","5.689","0.005","12.288","0.005","8.419","0.005","90","","103.897","0.005","90","","571.3","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.046","0.0368","","","0.0611","0.0654","","","","","","0.936","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219135","5.3598","0.0001","12.0206","0.0004","8.6306","0.0003","90","","104.55","0.001","90","","538.22","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.034","0.0313","","","0.074","0.0757","","","","","","1.085","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219136","5.4349","0.0001","12.0714","0.0003","8.6515","0.0003","90","","103.854","0.002","90","","551.09","0.03","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0341","0.0308","","","0.0772","0.0803","","","","","","1.067","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219137","6.077","0.0007","16.324","0.002","6.344","0.0007","90","","115.577","0.008","90","","567.66","0.12","293","2","293","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","lamivudine hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0857","0.0635","","","0.1566","0.1754","","","","","","1.069","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219138","5.151716","0.000065","5.151716","0.000065","11.26442","0.00016","90","","90","","90","","298.96","0.007","300","","300","","","","","","","","","6","I -4","I -4","82","","","","- Ag Er0.02 Li Mo4 O16 Yb1.98 -","- Ag Er0.02 Li Mo4 O16 Yb1.98 -","- Ag Er0.02 Li Mo4 O16 Yb1.98 -","1","0.125","","Cheng, Fangrui; Xia, Zhiguo; Jing, Xiping; Wang, Ziyuan","Li/Ag ratio dependent structure and upconversion photoluminescence of LixAg1-xYb0.99(MoO4)2:0.01Er(3+) phosphors.","Physical chemistry chemical physics : PCCP","2015","17","5","3689","3696","10.1039/c4cp03950e","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.91","1.993","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7219144","11.3111","0.0015","13.5636","0.0018","16.321","0.002","81.613","0.002","75.368","0.002","67.987","0.002","2242.5","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Hg3 I6 N4 O2 -","- C35 H32 Hg3 I6 N4 O2 -","- C70 H64 Hg6 I12 N8 O4 -","2","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0584","0.0471","","","0.1245","0.1326","","","","","","1.037","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219145","44.8","0.003","17.1348","0.0013","17.7314","0.0014","90","","90","","90","","13611.3","1.7","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H36 Ag F6 N6 O2 P -","- C30 H36 Ag F6 N6 O2 P -","- C480 H576 Ag16 F96 N96 O32 P16 -","16","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0356","0.031","","","0.0867","0.0912","","","","","","1.027","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219146","10.8182","0.0005","20.4671","0.001","18.6333","0.0009","90","","101.76","0.001","90","","4039.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Ag2 Cl4 N6 O2 -","- C43 H38 Ag2 Cl4 N6 O2 -","- C172 H152 Ag8 Cl16 N24 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0442","0.0354","","","0.0877","0.0934","","","","","","1.046","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219147","14.416","0.0012","15.8007","0.0013","23.0337","0.0014","90","","127.396","0.003","90","","4168.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Cl10 Hg5 N4 O2 -","- C27 H32 Cl10 Hg5 N4 O2 -","- C108 H128 Cl40 Hg20 N16 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0539","0.037","","","0.0788","0.0895","","","","","","1.011","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219148","11.7672","0.0009","19.2956","0.0009","19.0562","0.0011","90","","90.292","0.001","90","","4326.8","0.5","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H44 Hg2 I4 N4 O3 S -","- C38 H44 Hg2 I4 N4 O3 S -","- C152 H176 Hg8 I16 N16 O12 S4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.039","0.0384","","","0.0917","0.092","","","","","","1.057","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219149","10.84","0.004","13.647","0.005","25.631","0.009","90","","102.5","0.013","90","","3702","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Ag Cr N4 O5.5 -","- C38 H42 Ag Cr N4 O5.5 -","- C152 H168 Ag4 Cr4 N16 O22 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0677","0.0603","","","0.1639","0.1718","","","","","","1.066","","","","has coordinates,has disorder","301864","2025-08-22","15:14:38",""
"7219150","14.5037","0.0006","14.5037","0.0006","18.1126","0.001","90","","90","","90","","3810.1","0.3","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C43 H40 Cl2 Hg N6 O3 -","- C43 H40 Cl2 Hg N6 O3 -","- C172 H160 Cl8 Hg4 N24 O12 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0235","0.022","","","0.0545","0.0556","","","","","","1.004","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219151","11.4527","0.0006","20.9738","0.0011","15.9974","0.0008","90","","99.621","0.001","90","","3788.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl4 Hg2 N4 O2 -","- C38 H42 Cl4 Hg2 N4 O2 -","- C152 H168 Cl16 Hg8 N16 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0311","0.0259","","","0.0628","0.0695","","","","","","1.049","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219152","15.457","0.0004","13.4361","0.0002","13.8616","0.0003","90","","113.356","0.003","90","","2642.91","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 F12 N4 Ni2 O12 -","- C54 H40 F12 N4 Ni2 O12 -","- C108 H80 F24 N8 Ni4 O24 -","2","0.5","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.0428","0.0328","","","0.0812","0.0887","","","","","","1.026","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219153","29.6835","0.001","22.611","0.0008","8.2315","0.0002","90","","92.633","0.003","90","","5518.9","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C111 H84 F24 N10 Ni4 O21 -","- C111 H84 F24 N10 Ni4 O21 -","- C222 H168 F48 N20 Ni8 O42 -","2","0.25","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.0651","0.0515","","","0.1467","0.1562","","","","","","1.071","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219154","12.1471","0.0004","14.5855","0.0007","17.494","0.0007","111.295","0.004","90.612","0.003","91.087","0.003","2886.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H42 F12 N4 Ni2 O13 -","- C55 H42 F12 N4 Ni2 O12.25 -","- C110 H84 F24 N8 Ni4 O24.5 -","2","1","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.09","0.0799","","","0.211","0.2167","","","","","","1.187","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219155","14.4565","0.0004","38.2307","0.0008","10.008","0.0002","90","","109.779","0.003","90","","5204.9","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H19.5 F6 N2.5 O4.5 Zn -","- C28.5 H19.5 F6 N2.5 O4.5 Zn -","- C228 H156 F48 N20 O36 Zn8 -","8","1","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","0.71073","MoKα","","0.0612","0.0389","","","0.0987","0.1091","","","","","","0.949","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219156","27.963","0.013","5.091","0.002","16.89","0.008","90","","118.873","0.007","90","","2105.6","1.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C80 H96 N16 O28 -","4","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.069","0.0508","","","0.1341","0.1631","","","","","","0.91","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219157","18.863","0.016","4.534","0.004","14.98","0.012","90","","113.37","0.02","90","","1176.1","1.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H28 N4 O8 -","- C21 H28 N4 O8 -","- C42 H56 N8 O16 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0454","0.0338","","","0.0913","0.1054","","","","","","0.845","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219158","21.196","0.011","4.605","0.003","10.551","0.006","90","","90","","90","","1029.9","1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H22 N4 O7 -","- C19 H22 N4 O7 -","- C38 H44 N8 O14 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0553","0.0379","","","0.102","0.1193","","","","","","0.833","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219159","6.886","0.007","19.68","0.02","16.336","0.019","90","","100.08","0.02","90","","2180","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O10 -","- C18 H26 N4 O10 -","- C72 H104 N16 O40 -","4","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0957","0.0647","","","0.1755","0.2005","","","","","","1.295","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219160","6.8078","0.0013","10.6592","0.0018","10.84","0.002","61.373","0.013","71.958","0.014","84.063","0.014","655.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H18 F4 N4 O4 -","- C32 H18 F4 N4 O4 -","- C32 H18 F4 N4 O4 -","1","0.5","","Rudloff, Milan; Ackermann, Kai; Huth, Michael; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Wolfram, Benedikt; Bröring, Martin; Bolte, Michael; Chercka, Dennis; Baumgarten, Martin; Müllen, Klaus","Charge transfer tuning by chemical substitution and uniaxial pressure in the organic complex tetramethoxypyrene-tetracyanoquinodimethane.","Physical chemistry chemical physics : PCCP","2015","17","6","4118","4126","10.1039/c4cp04461d","","","0.71073","MoKα","","0.0933","0.0551","","","0.1247","0.1383","","","","","","0.954","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219166","21.622","0.002","17.5525","0.0016","16.4817","0.0016","90","","110.836","0.002","90","","5846.1","1","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H30 Co1.5 N3 O21 Ru3 -","- C30 H30 Co1.5 N3 O21 Ru3 -","- C120 H120 Co6 N12 O84 Ru12 -","4","0.5","","Li, Shenshen; Chen, Yu-Sheng; Mulfort, Karen L.","Structural modification in bimetallic Ru(iii)‒Co(ii) metal‒organic frameworks","CrystEngComm","2015","17","5","1005","","10.1039/C4CE02064B","","","0.49594","","","0.1482","0.0847","","","0.2264","0.2506","","","","","","0.927","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219167","55.289","0.013","28.916","0.005","17.468","0.003","90","","95.92","0.005","90","","27778","9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C180 H196 Co3 N18 O124 Ru24 -","- C180 H180 Co3 N18 O124 Ru24 -","- C360 H360 Co6 N36 O248 Ru48 -","2","0.25","","Li, Shenshen; Chen, Yu-Sheng; Mulfort, Karen L.","Structural modification in bimetallic Ru(iii)‒Co(ii) metal‒organic frameworks","CrystEngComm","2015","17","5","1005","","10.1039/C4CE02064B","","","0.44487","","","0.1627","0.1287","","","0.353","0.3774","","","","","","1.343","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219168","30.4852","0.001","9.0518","0.0003","20.1865","0.0007","90","","107.086","0.003","90","","5324.5","0.3","129.8","0.5","129.8","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Eu2 N2 O19 -","- C50 H46 Eu2 N2 O19 -","- C200 H184 Eu8 N8 O76 -","4","0.5","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0532","0.0485","","","0.1256","0.1312","","","","","","1.036","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219169","30.379","0.002","8.9963","0.0004","20.1175","0.0014","90","","107.423","0.008","90","","5245.8","0.6","130.4","0.2","130.4","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 N2 O19 Tb2 -","- C50 H46 N2 O19 Tb2 -","- C200 H184 N8 O76 Tb8 -","4","0.5","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0848","0.0794","","","0.2103","0.2169","","","","","","1.047","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219170","9.4805","0.0004","13.8989","0.0007","16.646","0.0009","85.35","0.004","76.57","0.004","72.158","0.005","2030.71","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H41 Eu N3 O15 -","- C37 H42 Eu N3 O15 -","- C74 H84 Eu2 N6 O30 -","2","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0389","0.0331","","","0.079","0.0828","","","","","","1.063","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219171","9.3955","0.0005","13.8663","0.0006","16.5559","0.001","85.363","0.004","76.965","0.005","72.239","0.005","2001","0.2","130.3","0.14","130.3","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 N3 O15 Tb -","- C37 H42 N3 O15 Tb -","- C74 H84 N6 O30 Tb2 -","2","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0347","0.0308","","","0.0693","0.0726","","","","","","1.054","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219172","9.4187","0.0006","28.0878","0.0014","16.7579","0.0011","90","","99.446","0.006","90","","4373.2","0.5","133.8","0.2","133.8","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Eu2 N O18 -","- C45 H35 Eu2 N O18 -","- C180 H140 Eu8 N4 O72 -","4","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0662","0.0512","","","0.12","0.1305","","","","","","1.034","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219173","9.3673","0.0004","27.9636","0.0009","16.8012","0.0006","90","","99.382","0.004","90","","4342.1","0.3","129.6","0.2","129.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 N O18 Tb2 -","- C45 H35 N O18 Tb2 -","- C180 H140 N4 O72 Tb8 -","4","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0505","0.0432","","","0.1007","0.1056","","","","","","1.08","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219174","14.774","0.002","14.774","0.002","14.774","0.002","90","","90","","90","","3224.7","0.8","150","0.2","150","0.2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C6 H28 Mo3 N14 O2 Re3 S8 Zn3 -","- C6 H24.48 Mo3 N14 O1.98 Re3 S8 Zn3 -","- C24 H97.92 Mo12 N56 O7.92 Re12 S32 Zn12 -","4","0.0208333","","Virovets, Alexander V.; Gayfulin, Yakov M.; Peresypkina, Eugenia V.; Mironov, Yuri V.; Naumov, Nikolay G.","Novel ‘anti-Prussian blue’ structure based on Zn2+nodes and [Re3Mo3S8(CN)6]6−heterometallic cluster spacers and its rearrangement to Prussian blue","CrystEngComm","2015","17","6","1477","","10.1039/C4CE02240H","","","0.71073","MoKα","","0.0535","0.0433","","","0.1079","0.1169","","","","","","1.178","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219175","14.9831","0.0003","14.9831","0.0003","14.9831","0.0003","90","","90","","90","","3363.61","0.12","150","0.2","150","0.2","","","","","","","","8","P m -3 m","-P 4 2 3","221","","","","- C18 H114 Mo9 N50 O9 Re9 S24 Zn9 -","- C18 H119.52 Mo9 N50 O9 Re9 S24 Zn9 -","- C18 H119.52 Mo9 N50 O9 Re9 S24 Zn9 -","1","0.0208333","","Virovets, Alexander V.; Gayfulin, Yakov M.; Peresypkina, Eugenia V.; Mironov, Yuri V.; Naumov, Nikolay G.","Novel ‘anti-Prussian blue’ structure based on Zn2+nodes and [Re3Mo3S8(CN)6]6−heterometallic cluster spacers and its rearrangement to Prussian blue","CrystEngComm","2015","17","6","1477","","10.1039/C4CE02240H","","","0.71073","MoKα","","0.0534","0.038","","","0.1217","0.1327","","","","","","1.123","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219176","12.291","0.003","7.4147","0.0015","34.667","0.007","90","","90","","90","","3159.3","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C144 H120 N8 O40 -","8","1","","Sharma, Siddharth; Singh, Ajay K.; Singh, Devendra; Kim, Dong-Pyo","Chemical fixation of carbon dioxide by copper catalyzed multicomponent reactions for oxazolidinedione syntheses","Green Chem.","2015","17","3","1404","","10.1039/C4GC02089H","","","0.71073","MoKα","","0.1129","0.0506","","","0.1125","0.1372","","","","","","1.016","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219184","9.4022","0.0008","13.4466","0.0012","17.5161","0.0015","89.367","0.002","87.358","0.001","87.449","0.001","2209.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 N14 Ni2 O14 V4 -","- C28 H46 N14 Ni2 O14 V4 -","- C56 H92 N28 Ni4 O28 V8 -","2","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.0825","0.0469","","","0.087","0.0954","","","","","","1.021","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219185","11.477","0.0011","17.835","0.0016","17.835","0.0016","90","","90","","90","","3650.7","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 Co2 N10 O14 V4 -","- C20 H34 Co2 N10 O14 V4 -","- C80 H136 Co8 N40 O56 V16 -","4","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.1628","0.0843","","","0.1929","0.2213","","","","","","1.054","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219186","9.4328","0.0011","16.3873","0.0017","11.3981","0.0012","90","","99.731","0.002","90","","1736.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cd N4 O7 V2 -","- C10 H18 Cd N4 O7 V2 -","- C40 H72 Cd4 N16 O28 V8 -","4","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.0515","0.0329","","","0.0603","0.0691","","","","","","1.066","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219187","8.0979","0.0004","10.1206","0.0006","20.3102","0.0012","78.159","0.004","88.1","0.003","69.662","0.003","1526.23","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","6b.Br","","- C29 H48 Br N5 O3 -","- C29 H48 Br N5 O3 -","- C58 H96 Br2 N10 O6 -","2","1","","Wuckert, Eugen; Harjung, Marc D.; Kapernaum, Nadia; Mueller, Carsten; Frey, Wolfgang; Baro, Angelika; Giesselmann, Frank; Laschat, Sabine","Photoresponsive ionic liquid crystals based on azobenzene guanidinium salts.","Physical chemistry chemical physics : PCCP","2015","17","13","8382","8392","10.1039/c4cp04783d","","","0.71073","MoKα","","0.0682","0.0413","","","0.0856","0.0911","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219188","9.7566","0.0005","9.1438","0.0005","42.575","0.002","90","","91.25","0.003","90","","3797.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6a.Cl","","- C31 H48 Cl7 N5 O2 -","- C31 H48 Cl7 N5 O2 -","- C124 H192 Cl28 N20 O8 -","4","1","","Wuckert, Eugen; Harjung, Marc D.; Kapernaum, Nadia; Mueller, Carsten; Frey, Wolfgang; Baro, Angelika; Giesselmann, Frank; Laschat, Sabine","Photoresponsive ionic liquid crystals based on azobenzene guanidinium salts.","Physical chemistry chemical physics : PCCP","2015","17","13","8382","8392","10.1039/c4cp04783d","","","0.71073","MoKα","","0.0612","0.04","","","0.078","0.0827","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219198","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; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","","0.71073","MoKα","","0.034","0.0326","","","0.0805","0.0813","","","","","","1.007","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219199","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; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","","0.71073","MoKα","","0.0549","0.0491","","","0.117","0.1213","","","","","","1.001","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219200","10.975","0.004","21.227","0.007","34.042","0.01","87.099","0.007","82.157","0.006","83.536","0.006","7802","4","196","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H196 Cl6 N2 O32 Si16 -","- C128 H196 Cl6 N2 O32 Si16 -","- C256 H392 Cl12 N4 O64 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","0.71073","MoKα","","0.4307","0.1564","","","0.3682","0.4661","","","","","","0.778","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219201","15.31","0.008","15.323","0.009","37.78","0.02","100.751","0.01","95.049","0.011","102.622","0.01","8420","8","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C135 H193 Cl9 N2 O32 Si16 -","- C135 H193 Cl9 N2 O32 Si16 -","- C270 H386 Cl18 N4 O64 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","0.71073","MoKα","","0.4064","0.1858","","","0.4245","0.5002","","","","","","0.864","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219202","11.3824","0.0002","21.8344","0.0004","23.7734","0.0005","86.5313","0.0016","81.6042","0.0018","83.2088","0.0017","5798.4","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H146 N2 O28 Si16 -","- C86 H146 N2 O28 Si16 -","- C172 H292 N4 O56 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","1.5418","CuKα","","0.3009","0.2148","","","0.5006","0.5282","","","","","","1.159","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219204","9.6197","0.0001","9.6197","0.0001","28.4217","0.0009","90","","90","","120","","2277.74","0.08","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C75 H84 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","1","0.166667","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.1228","0.1162","","","0.3151","0.3272","","","","","","1.119","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219205","11.9644","0.0011","11.7512","0.0009","20.5623","0.0016","90","","96.341","0.008","90","","2873.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N16 Ni2 O4 -","- C25 H24 N16 Ni2 O4 -","- C100 H96 N64 Ni8 O16 -","4","0.5","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.0719","0.0407","","","0.0764","0.0819","","","","","","0.898","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219206","16.2734","0.0018","18.977","0.003","19.136","0.002","90","","111.964","0.014","90","","5480.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 Mn N14 O12 -","- C51 H48 Mn N14 O12 -","- C204 H192 Mn4 N56 O48 -","4","1","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.1009","0.0469","","","0.1081","0.1197","","","","","","0.836","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219207","10.2918","0.0001","10.2918","0.0001","33.1588","0.0008","90","","90","","90","","3512.22","0.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C25 H24 Co2 N16 O4 -","- C25 H24 Co2 N16 O4 -","- C100 H96 Co8 N64 O16 -","4","0.25","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","1.54178","CuKα","","0.0607","0.0469","","","0.1651","0.1758","","","","","","1.104","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219208","5.19126","0.00015","33.428","0.001","9.217","0.0003","90","","112.021","0.0014","90","","1482.77","0.08","298.1","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C60 H64 Cl4 N4 O12 -","4","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.05","","","","0.151","","","","","","1.113","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219209","7.12742","0.00015","12.8781","0.0003","15.9623","0.0005","90","","103.45","0.0014","90","","1424.96","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.037","","","","0.1004","","","","","","1.073","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219210","4.88516","0.00018","8.6653","0.0003","18.6176","0.0007","86.98","0.003","85.549","0.003","80.147","0.002","773.52","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C32 H36 Cl2 N2 O6 -","2","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.0549","","","","0.1249","","","","","","0.923","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219212","7.807","0.003","6.49","0.003","10.879","0.003","90","","117.15","0.02","90","","490.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 S -","- C2 H3 Cu N4 S -","- C8 H12 Cu4 N16 S4 -","4","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0482","0.0466","","","0.1285","0.1304","","","","","","1.043","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219213","11.4672","0.0009","7.1734","0.0006","17.2977","0.0014","90","","102.957","0.001","90","","1386.66","0.19","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H3 Cl Cu2 N4 S -","- C2 H3 Cl Cu2 N4 S -","- C16 H24 Cl8 Cu16 N32 S8 -","8","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0228","0.0204","","","0.0485","0.0495","","","","","","1.067","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219214","8.7795","0.0014","6.4704","0.0011","10.8283","0.0017","90","","106.422","0.002","90","","590.03","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Cu N4 S -","- C3 H5 Cu N4 S -","- C12 H20 Cu4 N16 S4 -","4","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0303","0.0266","","","0.0666","0.0684","","","","","","1.066","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219215","11.1796","0.0017","8.4442","0.0014","17.314","0.003","90","","103.158","0.002","90","","1591.6","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Cl Cu2 N4 S -","- C3 H5 Cl Cu2 N4 S -","- C24 H40 Cl8 Cu16 N32 S8 -","8","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0384","0.0351","","","0.08","0.0813","","","","","","1.175","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219216","11.8373","0.001","11.5492","0.0009","12.7035","0.001","90","","95.068","0.001","90","","1729.9","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cd3 O14 -","- C13 H12 Cd3 O14 -","- C52 H48 Cd12 O56 -","4","1","","Yang, Gao-Shan; Liu, Chong-Bo; Wen, Hui-Liang; Tan, Sheng-Shui; John Zhang, Z.","A rare I2O3hybrid organic‒inorganic material with high connectivity and quadruple-stranded helices","CrystEngComm","2015","17","7","1518","","10.1039/C4CE02253J","","","0.71073","MoKα","","0.0312","0.0288","","","0.0811","0.0826","","","","","","1.089","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219217","15.655","0.003","16.561","0.003","21.2","0.003","90","","120.567","0.009","90","","4732.6","1.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N6 O5 Zn -","- C23 H14 N6 O5 Zn -","- C184 H112 N48 O40 Zn8 -","8","1","","Safarifard, Vahid; Beheshti, Saeideh; Morsali, Ali","An interpenetrating amine-functionalized metal‒organic framework as an efficient and reusable catalyst for the selective synthesis of tetrahydro-chromenes","CrystEngComm","2015","17","7","1680","","10.1039/C4CE02141J","","","0.71073","MoKα","","0.1354","0.0805","","","0.1589","0.1747","","","","","","1.083","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219229","5.244797","0.00003","5.244797","","11.3813","0.00013","90","","90","","90","","313.076","0.004","298","","298","","","","","","","","Scheelite","3","I 41/a :2","-I 4ad","88","Calcium tungstate","","","- Ca O4 W -","- Ca O4 W -","- Ca4 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.05","0.0342","","","0.0666","","0.02583","","1.95","","","1.95","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219230","5.24701","0.00005","5.24701","","11.3846","0.00018","90","","90","","90","","313.431","0.006","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.99 Eu0.01 O4 W -","- Ca0.98967 Eu0.01059 O4 W -","- Ca3.95868 Eu0.04236 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0548","0.0326","","","0.0729","","0.04681","","2.24","","","2.24","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219231","5.24643","0.00006","5.24643","","11.38357","0.00021","90","","90","","90","","313.333","0.007","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.98 Eu0.02 O4 W -","- Ca0.9804 Eu0.0196 O4 W -","- Ca3.9216 Eu0.0784 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0591","0.0342","","","0.0799","","0.02956","","2.34","","","2.34","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219232","5.24682","0.00004","5.24682","","11.38143","0.00016","90","","90","","90","","313.321","0.005","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.96 Eu0.04 O4 W -","- Ca0.96289 Eu0.03711 O4 W -","- Ca3.85156 Eu0.14844 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0472","0.0322","","","0.0633","","0.0235","","1.97","","","1.97","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219233","3.64","0.001","11.584","0.003","13.565","0.003","90","","94.64","0.01","90","","570.1","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0643","0.0451","","","0.1168","0.13","","","","","","1.039","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219234","3.725","0.001","7.368","0.002","20.417","0.004","90","","91.47","0.01","90","","560.2","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.06","0.0457","","","0.1172","0.1274","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219235","9.997","0.002","3.754","0.001","15.362","0.003","90","","106.31","0.03","90","","553.3","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0569","0.0427","","","0.1083","0.1187","","","","","","1.094","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219236","9.773","0.002","4.052","0.0008","14.993","0.005","90","","109.95","0.03","90","","558.1","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0479","0.0379","","","0.1102","0.1165","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7219237","15.563","0.003","17.642","0.003","17.736","0.005","116.804","0.009","92.853","0.016","107.383","0.012","4049.4","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H44 Cu8 N36 -","- C76 H44 Cu8 N36 -","- C152 H88 Cu16 N72 -","2","1","","Pan, Jie; Liu, Cai-Ping; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Diverse architectures and luminescence properties of two novel copper(i) coordination polymers assembled from 2,6-bis[3-(pyrid-4-yl)-1,2,4-triazolyl]pyridine ligands","CrystEngComm","2015","17","7","1541","","10.1039/C4CE02351J","","","0.71073","MoKα","","0.0743","0.051","","","0.1245","0.1424","","","","","","1.058","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219238","11.446","0.01","13.434","0.014","15.352","0.015","79.59","0.03","76.45","0.03","79.82","0.04","2235","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H22 Cu5 N19 O2 -","- C39 H21 Cu5 N19 O2 -","- C78 H42 Cu10 N38 O4 -","2","1","","Pan, Jie; Liu, Cai-Ping; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Diverse architectures and luminescence properties of two novel copper(i) coordination polymers assembled from 2,6-bis[3-(pyrid-4-yl)-1,2,4-triazolyl]pyridine ligands","CrystEngComm","2015","17","7","1541","","10.1039/C4CE02351J","","","0.71073","MoKα","","0.1241","0.0827","","","0.2362","0.3222","","","","","","1.061","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219239","5.6775","0.0003","11.7141","0.0007","18.3172","0.0011","90","","98.832","0.001","90","","1203.77","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","p-cresol","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","","Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.","Solid state structures of p-cresol revisited","CrystEngComm","2015","17","28","5134","","10.1039/C4CE02334J","","","0.71073","MoKα","","0.0666","0.0589","","","0.1413","0.1484","","","","","","1.054","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219240","26.2548","0.0016","6.0047","0.0004","27.3511","0.0017","90","","117.786","0.002","90","","3814.8","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","p-cresol","","- C7 H8 O -","- C7 H8 O -","- C168 H192 O24 -","24","3","","Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.","Solid state structures of p-cresol revisited","CrystEngComm","2015","17","28","5134","","10.1039/C4CE02334J","","","0.71073","MoKα","","0.0491","0.0377","","","0.0936","0.1016","","","","","","1.02","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219241","15.4965","0.0007","16.8579","0.0007","12.6159","0.0006","90","","90","","90","","3295.8","0.3","153","2","153","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H62 Al3 Fe2 Li N4 O2 -","- C20 H62 Al3 Fe2 Li N4 O2 -","- C80 H248 Al12 Fe8 Li4 N16 O8 -","4","1","","Gieshoff, Tim N.; Villa, Matteo; Welther, Alice; Plois, Markus; Chakraborty, Uttam; Wolf, Robert; Jacobi von Wangelin, Axel","Iron-catalyzed olefin hydrogenation at 1 bar H2with a FeCl3‒LiAlH4catalyst","Green Chem.","2015","17","3","1408","","10.1039/C4GC02368D","","","0.71073","MoKα","","0.0489","0.0329","","","0.0678","0.0741","","","","","","1.019","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219261","15.331","0.003","33.859","0.007","10.827","0.002","90","","104.229","0.003","90","","5447.8","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 N3 Ni O6 -","- C30 H20 N3 Ni O6 -","- C240 H160 N24 Ni8 O48 -","8","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0691","0.0553","","","0.1783","0.2238","","","","","","1.047","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219262","9.765","","17.154","","14.568","","90","","103.06","","90","","2377.15","","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20 N2 Ni O7 -","- C25 H20 N2 Ni O7 -","- C100 H80 N8 Ni4 O28 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0497","0.0476","","","0.1676","0.1758","","","","","","1.044","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219263","9.406","0.004","9.512","0.003","11.655","0.004","75.58","0.006","80.947","0.006","66.329","0.006","923","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N Ni O5 -","- C20 H12 N Ni O5 -","- C40 H24 N2 Ni2 O10 -","2","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.118","0.0874","","","0.3104","0.3773","","","","","","1.066","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219264","9.883","0.007","18.292","0.013","13.048","0.009","90","","102.748","0.008","90","","2301","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H16 N2 Ni O5 -","- C25 H16 N2 Ni O5 -","- C100 H64 N8 Ni4 O20 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0766","0.0657","","","0.1676","0.1768","","","","","","1.007","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219265","12.611","0.0003","13.0901","0.0006","23.1334","0.0011","86.751","0.004","89.566","0.003","66.489","0.004","3495.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H156 Cl4 Co8 O43 S8 -","- C100 H104 Cl4 Co8 O34 S8 -","- C100 H104 Cl4 Co8 O34 S8 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.0933","0.0629","","","0.1564","0.1733","","","","","","0.972","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219266","11.7307","0.0006","21.7103","0.0011","27.772","0.0013","90","","89.317","0.005","90","","7072.4","0.6","100","2","100","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C121 H168.5 Cl2 Co8 N2.5 O25.5 S8 -","- C116 H112.6 Cl2 Co8 N2 O22 S8 -","- C232 H225.2 Cl4 Co16 N4 O44 S16 -","2","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.0972","0.0771","","","0.2223","0.2319","","","","","","1.093","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219267","15.1811","0.0006","20.4878","0.0009","39.3306","0.0011","90","","90","","90","","12232.9","0.8","100","2","100","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C62.6 H69.9 Cl Co4 N1.3 O12 S4 -","- C62.6 H43.1 Cl Co4 N1.3 O12 S4 -","- C500.8 H344.8 Cl8 Co32 N10.4 O96 S32 -","8","","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.1084","0.0869","","","0.2359","0.2581","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219268","3.8298","0.0004","13.6659","0.0013","26.168","0.002","90","","91.048","0.005","90","","1369.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0629","0.0446","","","0.1262","0.1351","","","","","","1.392","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219269","10.122","0.002","10.636","0.002","14.713","0.003","94.212","0.011","105.65","0.011","104.86","0.011","1456.8","0.5","569","2","569","2","","","","","","","","4","P -1","-P 1","2","","","","- C26.83 H27.49 N2 O12.11 -","- C26.831 H27.493 N2 O12.114 -","- C53.662 H54.986 N4 O24.228 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.1109","0.0641","","","0.1309","0.1429","","","","","","1.681","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219270","10.037","0.003","10.936","0.003","14.655","0.004","94.839","0.015","104.698","0.014","104.297","0.014","1489.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27.92 H30 N2 O12.06 -","- C27.92 H30 N2 O12.06 -","- C55.84 H60 N4 O24.12 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0875","0.0569","","","0.1611","0.1837","","","","","","0.973","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219271","9.525","0.003","27.883","0.009","13.755","0.004","90","","107.856","0.016","90","","3477.2","1.9","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C152 H128 N16 O48 -","8","2","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.1193","0.0594","","","0.1354","0.1713","","","","","","0.94","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219272","10.979","0.002","11.02","0.002","14.01","0.003","89.54","0.03","78.13","0.03","77.87","0.03","1620.7","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O12 -","- C31 H28 N2 O12 -","- C62 H56 N4 O24 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0938","0.0531","","","0.1479","0.1968","","","","","","0.966","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219273","7.9394","0.0017","11.221","0.002","19.683","0.004","93.603","0.008","92.516","0.007","95.843","0.007","1738.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O7 -","- C40 H34 N4 O7 -","- C80 H68 N8 O14 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0747","0.0517","","","0.1325","0.1713","","","","","","1.189","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219274","15.056","0.002","13.1093","0.0018","15.2651","0.0019","90","","105.105","0.005","90","","2908.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N4 O13 -","- C29 H30 N4 O13 -","- C116 H120 N16 O52 -","4","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0847","0.0776","","","0.2056","0.2095","","","","","","1.175","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219275","10.6026","0.0009","14.4115","0.0009","15.2947","0.0015","72.165","0.007","85.457","0.007","86.934","0.006","2216.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43.63 N6 O21.18 S4 -","- C40 H43.65 N6 O21.175 S4 -","- C80 H87.3 N12 O42.35 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","1.54184","CuKα","","0.0567","0.0441","","","0.1105","0.1203","","","","","","0.827","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219276","12.5233","0.0003","12.7554","0.0004","17.6293","0.0005","77.734","0.002","75.621","0.002","66.431","0.003","2479.93","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.71 H54.84 N6 O25.15 S4 -","- C41.704 H54.846 N6 O25.148 S4 -","- C83.408 H109.692 N12 O50.296 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","0.71073","MoKα","","0.0448","0.037","","","0.0984","0.1028","","","","","","0.932","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219277","12.4798","0.0005","12.6682","0.0004","17.6904","0.0005","77.545","0.003","75.299","0.003","67.843","0.003","2482.9","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50.98 N6 O26 S4 -","- C41 H50.986 N6 O26 S4 -","- C82 H101.972 N12 O52 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","0.71073","MoKα","","0.0557","0.045","","","0.1105","0.1176","","","","","","0.863","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219278","20.2344","0.0004","15.2501","0.0003","17.8339","0.0003","90","","107.069","0.002","90","","5260.72","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H59 N6 O27 S4 -","- C43 H59 N6 O27 S4 -","- C172 H236 N24 O108 S16 -","4","0.5","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host–guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","1.54184","CuKα","","0.0842","0.0782","","","0.2011","0.2071","","","","","","0.892","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219279","11.213","0.002","22.602","0.004","8.0287","0.0016","90","","98.034","0.004","90","","2014.8","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag Cl N2 O4 S2 -","- C18 H20 Ag Cl N2 O4 S2 -","- C72 H80 Ag4 Cl4 N8 O16 S8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0487","0.0428","","","0.0999","0.1022","","","","","","1.199","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219280","7.7301","0.0006","9.3388","0.0005","14.2614","0.0008","102.835","0.005","102.369","0.006","95.408","0.006","969.57","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Ag2 N6 O6 S4 -","- C36 H40 Ag2 N6 O6 S4 -","- C36 H40 Ag2 N6 O6 S4 -","1","0.5","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","x-ray","0.71073","MoKα","","0.035","0.0301","","","0.0638","0.067","","","","","","1.042","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219281","11.488","0.004","23.359","0.009","7.938","0.003","90","","95.257","0.006","90","","2121.2","1.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag F6 N2 P S2 -","- C18 H20 Ag F6 N2 P S2 -","- C72 H80 Ag4 F24 N8 P4 S8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0975","0.0804","","","0.1754","0.1833","","","","","","1.167","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219282","10.488","0.002","23.158","0.005","8.6272","0.0015","90","","102.906","0.004","90","","2042.4","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag Cl N2 O4 Se2 -","- C18 H20 Ag Cl N2 O4 Se2 -","- C72 H80 Ag4 Cl4 N8 O16 Se8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0456","0.0279","","","0.0496","0.055","","","","","","1.038","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219283","8.51314","0.0001","22.6458","0.0003","22.5566","0.0003","90","","98.0482","0.0012","90","","4305.79","0.1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Ag2 F12 N4 P2 Se4 -","- C36 H40 Ag2 F12 N4 P2 Se4 -","- C144 H160 Ag8 F48 N16 P8 Se16 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","x-ray","0.71073","MoKα","","0.0258","0.0214","","","0.0491","0.0534","","","","","","0.671","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219296","10.61","0.0005","11.804","0.0005","20.698","0.0005","90","","102.821","0.005","90","","2527.6","0.18","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H15 Co2 N15 O44.5 Si W12 -","- C10 H15 Co2 N15 O44.5 Si W12 -","- C20 H30 Co4 N30 O89 Si2 W24 -","2","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0891","0.0481","","","0.0927","0.1058","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219297","13.088","0.0005","13.764","0.0005","15.963","0.0005","99.833","0.005","99.52","0.005","101.798","0.005","2713.05","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H48 N30 O98 Si2 W24 Zn5 -","- C20 H38 N30 O98 Si2 W24 Zn5 -","- C20 H38 N30 O98 Si2 W24 Zn5 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.1062","0.0574","","","0.1156","0.1401","","","","","","1.003","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219298","11.551","0.0005","12.13","0.0005","14.286","0.0005","94.156","0.005","105.714","0.005","106.035","0.005","1828.27","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H50 Cl2 Cu6 Ge N24 O55 W12 -","- C16 H20 Cl2 Cu6 Ge N24 O43 W12 -","- C16 H20 Cl2 Cu6 Ge N24 O43 W12 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.1178","0.0685","","","0.1697","0.2041","","","","","","1.034","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219299","11.535","0.0005","12.091","0.0005","14.313","0.0005","94.051","0.005","105.611","0.005","105.77","0.005","1827.83","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H50 Cl2 Cu6 N24 O55 Si W12 -","- C16 H20 Cl2 Cu6 N24 O46 Si W12 -","- C16 H20 Cl2 Cu6 N24 O46 Si W12 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0904","0.0688","","","0.1701","0.1862","","","","","","1.029","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219300","19.144","0.0005","23.388","0.0005","22.86","0.0005","90","","102.838","0.005","90","","9979.5","0.4","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C28 H118 Co11 K2 N42 Na2 O169 P4 W36 -","- C28 H38 Co11 K2 N42 Na2 O152 P4 W36 -","- C56 H76 Co22 K4 N84 Na4 O304 P8 W72 -","2","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0955","0.0681","","","0.1558","0.17","","","","","","1.071","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219301","24.871","0.0002","14.2534","0.0001","20.828","0.0002","90","","125.026","0.003","90","","6046.2","0.2","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C12 H49 Cu6 N18 O54 P S W9 -","- C12 H13 Cu6 N18 O40.9998 P S W9 -","- C48 H52 Cu24 N72 O163.999 P4 S4 W36 -","4","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71073","MoKα","","0.0835","0.0536","","","0.143","0.1649","","","","","","1.064","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219307","26.859","0.005","10.5583","0.0019","15.311","0.003","90","","119.508","0.002","90","","3778.8","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate THF solvate","","","- C49 H42 N2 O7 -","- C49 H42 N2 O7 -","- C196 H168 N8 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0761","0.049","","","0.1066","0.122","","","","","","1.029","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219308","26.804","0.004","10.6999","0.0016","15.194","0.002","90","","119.868","0.002","90","","3778.8","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate 1,4-dioxane solvate","","","- C49 H42 N2 O8 -","- C49 H42 N2 O8 -","- C196 H168 N8 O32 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0891","0.0507","","","0.1062","0.1229","","","","","","1.036","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219309","27.277","0.01","10.398","0.004","15.424","0.006","90","","119.02","0.004","90","","3825","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-phenylpyridinium pamoate DMSO solvate","","- C47 H34 N2 O7 S -","- C47 H34 N2 O7 S -","- C188 H136 N8 O28 S4 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.082","0.054","","","0.1454","0.1643","","","","","","1.025","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219310","27.121","0.006","10.418","0.002","15.424","0.003","90","","118.915","0.003","90","","3814.7","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate acetone solvate","","","- C48 H40 N2 O7 -","- C48 H40 N2 O7 -","- C192 H160 N8 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.1206","0.0571","","","0.111","0.1381","","","","","","0.987","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219311","27.355","0.007","10.464","0.003","15.401","0.004","90","","119.512","0.003","90","","3836.4","1.8","101","2","101","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate DMF solvate","","","- C47.65 H40.17 N2.88 O7 -","- C47.645 H40.174 N2.881 O7 -","- C190.58 H160.696 N11.524 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0927","0.0667","","","0.1588","0.1716","","","","","","1.061","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219312","7.7618","0.0007","17.3278","0.0016","18.8269","0.0017","90","","99.867","0.001","90","","2494.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-phenylpyridinium pamoate","","","- C34 H25 N O6 -","- C34 H25 N O6 -","- C136 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0652","0.0433","","","0.0994","0.1114","","","","","","1.058","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219313","11.0358","0.0019","13.172","0.002","17.721","0.003","90","","101.056","0.002","90","","2528.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-phenylpyridinium pamoate","","","- C34 H25 N O6 -","- C34 H25 N O6 -","- C136 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0584","0.0429","","","0.101","0.1098","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219314","18.999","0.0008","18.999","0.0008","37.095","0.0019","90","","90","","120","","11596","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37 H57 Cu N5 O11 -","- C34 H46 Cu N4 O8 -","- C306 H414 Cu9 N36 O72 -","9","0.5","","Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang","Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs","CrystEngComm","2015","17","7","1583","","10.1039/C4CE02148G","","","0.71069","MoKα","","0.076","0.0543","","","0.1557","0.165","","","","","","0.966","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219315","9.651","0.001","15.7906","0.0012","12.8901","0.0011","90","","92.055","0.009","90","","1963.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cu N4 O11 -","- C34 H46 Cu N4 O8 -","- C68 H92 Cu2 N8 O16 -","2","0.5","","Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang","Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs","CrystEngComm","2015","17","7","1583","","10.1039/C4CE02148G","","","0.71073","MoKα","","0.1786","0.1154","","","0.2231","0.2404","","","","","","1.186","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219316","7.0051","0.0003","7.0051","0.0003","5.4758","0.0002","90","","90","","120","","232.706","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0269","0.0269","","","0.0724","0.0724","","","","","","0.668","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219317","7.0045","0.0003","7.0045","0.0003","5.4789","0.0003","90","","90","","120","","232.797","0.019","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0184","0.0181","","","0.0522","0.0526","","","","","","1.229","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219318","7.0047","0.0002","7.0047","0.0002","5.4772","0.0003","90","","90","","120","","232.739","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.077","0.077","","","0.2202","0.2202","","","","","","1.229","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219319","7.0055","0.0003","7.0055","0.0003","5.4774","0.0002","90","","90","","120","","232.8","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0212","0.021","","","0.0547","0.055","","","","","","1.146","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219321","13.1356","0.0007","13.2969","0.0007","14.4976","0.0007","108.632","0.005","92.585","0.004","97.24","0.004","2370.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H64 B Cu4 N30 O42 W12 -","- C60 H56 B Cu4 N30 O42 W12 -","- C60 H56 B Cu4 N30 O42 W12 -","1","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Xu, Yan; Zhang, Hong","Temperature-dependent assembly of two 3D [BW12O40]5−-based coordination polymers with visible light driven photocatalytic properties","CrystEngComm","2015","17","7","1631","","10.1039/C4CE02211D","","","0.71073","MoKα","","0.0853","0.068","","","0.1397","0.1488","","","","","","1.053","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219322","11.3945","0.0005","14.8843","0.0008","15.869","0.0007","64.69","0.005","89.747","0.004","89.661","0.004","2433","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H76 B Cl Cu3 N30 O48 W12 -","- C60 H60 B Cl Cu3 N30 O48 W12 -","- C60 H60 B Cl Cu3 N30 O48 W12 -","1","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Xu, Yan; Zhang, Hong","Temperature-dependent assembly of two 3D [BW12O40]5−-based coordination polymers with visible light driven photocatalytic properties","CrystEngComm","2015","17","7","1631","","10.1039/C4CE02211D","","","0.71073","MoKα","","0.0796","0.0527","","","0.0953","0.1066","","","","","","1.108","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219323","18.1541","0.0012","18.1541","0.0012","27.843","0.004","90","","90","","120","","7946.9","1.4","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H89 Cd6 Cl N12 O50.5 -","- C84 H88.98 Cd6 Cl N12 O50.5 -","- C252 H266.94 Cd18 Cl3 N36 O151.5 -","3","0.166667","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0411","0.0319","","","0.097","0.1037","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219324","18.211","0.003","5.1283","0.001","13.915","0.003","90","","96.803","0.002","90","","1290.4","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu2 N2 O8 -","- C12 H8 Cu2 N2 O8 -","- C48 H32 Cu8 N8 O32 -","4","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0391","0.0296","","","0.0724","0.0777","","","","","","1.022","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219325","6.2937","0.0016","6.8393","0.0017","9.545","0.004","99.689","0.004","90.764","0.004","116.946","0.003","359.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu2 N2 O10 -","- C12 H12 Cu2 N2 O10 -","- C12 H12 Cu2 N2 O10 -","1","0.5","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0405","0.0338","","","0.0813","0.0849","","","","","","1.073","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219326","12.1868","0.0013","12.4222","0.0013","15.4307","0.0016","77.399","0.001","88.583","0.001","85.884","0.001","2273.8","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Cu2 N6 O21 -","- C38 H48 Cu2 N6 O21 -","- C76 H96 Cu4 N12 O42 -","2","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0559","0.0395","","","0.0981","0.1078","","","","","","1.03","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219327","4.785","0.007","9.33","0.014","14.53","0.02","89.807","0.016","81.067","0.016","77.496","0.016","625.3","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu N2 O8 -","- C12 H10 Cu N2 O8 -","- C24 H20 Cu2 N4 O16 -","2","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0324","0.0282","","","0.075","0.0777","","","","","","1.058","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219328","16.0589","0.0013","13.638","0.0009","18.3496","0.0013","90","","95.258","0.004","90","","4001.9","0.5","100","2","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 Br3 Cl N2 O2 -","- C13 H28 Br3 Cl N2 O2 -","- C104 H224 Br24 Cl8 N16 O16 -","8","2","","Rosokha, Sergiy V.; Traversa, Alfredo","From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions.","Physical chemistry chemical physics : PCCP","2015","17","7","4989","4999","10.1039/c4cp05220j","","","0.71073","MoKα","","0.1065","0.0674","","","0.1598","0.175","","","","","","1.093","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219329","33.76","0.03","8.427","0.006","14.421","0.011","90","","90","","90","","4103","6","100","2","99.92","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H28 Br3 F I N -","- C13 H28 Br3 F I N -","- C104 H224 Br24 F8 I8 N8 -","8","2","","Rosokha, Sergiy V.; Traversa, Alfredo","From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions.","Physical chemistry chemical physics : PCCP","2015","17","7","4989","4999","10.1039/c4cp05220j","","","0.71073","MoKα","","0.0343","0.0283","","","0.0578","0.0596","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219330","8.5118","0.0003","18.3083","0.0007","13.3813","0.0005","90","","97.315","0.002","90","","2068.32","0.13","100","2","100.04","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Br3 I N2 -","- C14 H28 Br3 I N2 -","- C56 H112 Br12 I4 N8 -","4","1","","Rosokha, Sergiy V.; Traversa, Alfredo","From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions.","Physical chemistry chemical physics : PCCP","2015","17","7","4989","4999","10.1039/c4cp05220j","","","1.54178","CuKα","","0.0256","0.0239","","","0.0611","0.0621","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219331","11.9187","0.0017","9.8408","0.0015","24.353","0.004","90","","102.942","0.006","90","","2783.8","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N5 O -","- C33 H33 N5 O -","- C132 H132 N20 O4 -","4","1","","Sousa, Ana Catarina; Piedade, M. Fátima M. M.; Martins, Lígia O.; Robalo, M. Paula","An enzymatic route to a benzocarbazole framework using bacterial CotA laccase","Green Chem.","2015","17","3","1429","","10.1039/C4GC02511C","","","0.71073","MoKα","","0.1543","0.0646","","","0.1185","0.1455","","","","","","0.889","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219337","9.9709","0.0008","10.8286","0.0007","16.093","0.0015","99.983","0.003","98.899","0.003","109.619","0.002","1568.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H20 Cl3 F2 O6 P W -","- C32 H20 Cl3 F2 O6 P W -","- C64 H40 Cl6 F4 O12 P2 W2 -","2","1","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0354","0.026","","","0.0524","0.0563","","","","","","1.058","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219338","10.6618","0.0003","16.0963","0.0004","16.5683","0.0005","76.9465","0.0016","87.9808","0.0016","86.8159","0.0016","2764.87","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H18 F3 O6 P W -","- C31 H18 F3 O6 P W -","- C124 H72 F12 O24 P4 W4 -","4","2","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0482","0.0362","","","0.0852","0.0898","","","","","","1.005","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219339","36.0465","0.001","9.5603","0.0003","16.5305","0.0004","90","","93.8297","0.0017","90","","5683.9","0.3","123","","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H16 F5 O6 P W -","- C31 H16 F5 O6 P W -","- C248 H128 F40 O48 P8 W8 -","8","1","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0581","0.0378","","","0.0857","0.0931","","","","","","1.024","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219340","5.9244","0.0007","13.4171","0.0016","29.058","0.004","90","","90","","90","","2309.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C100 H108 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1012","0.0882","","","0.2018","0.2097","","","","","","1.117","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219341","15.071","0.005","5.84","0.002","15.398","0.005","90","","118.293","0.006","90","","1193.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C52 H58 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1391","0.084","","","0.1765","0.2016","","","","","","1.023","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219342","15.057","0.003","5.826","0.0011","15.588","0.003","90","","117.035","0.003","90","","1218","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 N O4 S -","- C27 H31 N O4 S -","- C54 H62 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0793","0.0644","","","0.148","0.1558","","","","","","1.097","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219343","15.102","0.003","5.848","0.0009","15.421","0.003","90","","113.81","0.003","90","","1246","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C56 H66 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0373","0.0339","","","0.083","0.0862","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219344","17.707","0.0002","14.7731","0.0002","37.6605","0.0004","90","","101.434","0.001","90","","9656","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C176 H212 N2 O54 P4 S8 -","- C176 H158 N2 O53.9998 P4 S8 -","- C352 H316 N4 O108 P8 S16 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Controlling the organization of phosphonium cations relative to p-sulfonatocalix[4]arene anions","CrystEngComm","2015","17","7","1526","","10.1039/C4CE02086C","","","1.54178","CuKα","","0.1338","0.1197","","","0.2734","0.2808","","","","","","1.032","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219345","6.7039","0.0002","14.9481","0.0004","9.6177","0.0002","90","","98.9365","0.0018","90","","952.1","0.04","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-Dioxane-2,5-dione","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C32 H32 O32 -","8","2","","Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.","Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments","CrystEngComm","2015","17","8","1778","","10.1039/C5CE00119F","","","0.71073","MoKα","","0.04","0.035","","0.0865","0.077","0.0851","","","","","","1.0572","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219346","5.2399","0.0002","7.4388","0.0003","11.7763","0.0004","90","","90","","90","","459.02","0.03","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-Dioxane-2,5-dione","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.","Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments","CrystEngComm","2015","17","8","1778","","10.1039/C5CE00119F","","","0.71073","MoKα","","0.0424","0.0417","","0.0929","0.0921","0.0929","","","","","","0.9594","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219347","13.1493","0.0004","16.19","0.0005","19.3364","0.0006","66.7678","0.001","70.8605","0.0009","87.8194","0.0009","3553.78","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H70 Cl Ir2 N8 O19 Pb -","- C77 H70 Cl Ir2 N8 O19 Pb -","- C154 H140 Cl2 Ir4 N16 O38 Pb2 -","2","1","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0971","0.0672","","","0.1801","0.2108","","","","","","1.062","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219348","29.4296","0.0007","8.7352","0.0002","30.6568","0.0007","90","","99.2586","0.0007","90","","7778.4","0.3","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C148 H142 Cl Ir4 N20 O37 Pb2 -","- C148 H142 Cl Ir4 N20 O37 Pb2 -","- C296 H284 Cl2 Ir8 N40 O74 Pb4 -","2","0.5","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0539","0.0429","","","0.1263","0.1368","","","","","","1.092","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219349","13.0965","0.0002","16.9698","0.0003","19.3066","0.0003","67.1073","0.0009","71.2175","0.001","88.2966","0.001","3719.82","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H73 Ir2 N9 O15 Pb -","- C79 H73 Ir2 N9 O15 Pb -","- C158 H146 Ir4 N18 O30 Pb2 -","2","1","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0891","0.0478","","","0.1181","0.135","","","","","","1.02","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219350","8.7126","0.0002","18.2978","0.0004","22.6191","0.0005","87.0367","0.0009","83.5709","0.0009","79.003","0.001","3515.79","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C142 H122 I4 Ir4 N18 O28 Pb4 -","- C142 H118 I4 Ir4 N18 O28 Pb4 -","- C142 H118 I4 Ir4 N18 O28 Pb4 -","1","0.5","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0849","0.0449","","","0.0925","0.1119","","","","","","1.056","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219372","19.637","0.002","9.4274","0.001","5.7239","0.0005","90","","93.912","0.003","90","","1057.17","0.18","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 K2 N2 O6 -","- C20 H24 K2 N2 O6 -","- C40 H48 K4 N4 O12 -","2","0.5","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.71073","MoKα","","0.1078","0.051","","","0.0923","0.1115","","","","","","1.014","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219373","6.0077","0.0009","16.128","0.003","9.1598","0.0017","90","","104.63","0.005","90","","858.7","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","0.5","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.71073","MoKα","","0.1174","0.0595","","","0.1259","0.1533","","","","","","0.997","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219374","17.666","0.007","24.302","0.006","6.013","0.0012","90","","100.76","0.04","90","","2536.1","1.3","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C46 H56 N6 O12 Zn3 -","- C46 H56 N6 O12 Zn3 -","- C92 H112 N12 O24 Zn6 -","2","0.25","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.7109","Synchrotron","","0.0778","0.0639","","","0.1661","0.1758","","","","","","1","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219375","11.99","0.003","18.125","0.004","12.239","0.003","90","","105.173","0.004","90","","2567","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O9 Zn2 -","- C24 H17 N6 O9 Zn2 -","- C96 H68 N24 O36 Zn8 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0656","0.0591","","","0.1593","0.1685","","","","","","1.013","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219376","34.838","0.009","13.738","0.003","25.355","0.006","90","","90.058","0.004","90","","12135","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H51 Cd2 N17 O14 -","- C47 H49 Cd2 N17 O14 -","- C376 H392 Cd16 N136 O112 -","8","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0926","0.0769","","","0.2052","0.2191","","","","","","1.017","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219377","21.139","0.004","13.704","0.002","21.81","0.004","90","","107.006","0.003","90","","6041.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 Cd2 N18 O16 -","- C50 H56 Cd2 N18 O16 -","- C200 H224 Cd8 N72 O64 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0919","0.0804","","","0.2084","0.2204","","","","","","1.036","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219378","11.328","0.004","24.951","0.007","13.624","0.005","90","","114.073","0.004","90","","3516","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Cd N8 O7 -","- C33 H32 Cd N8 O7 -","- C132 H128 Cd4 N32 O28 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0796","0.0573","","","0.1418","0.1606","","","","","","1.013","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219379","19.5639","0.0004","19.5639","0.0004","26.8732","0.0009","90","","90","","120","","8907.6","0.4","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C69 H57.5 Cd3 N26.5 O14 -","- C69 H57.5 Cd3 N26.5 O14 -","- C276 H230 Cd12 N106 O56 -","4","0.333333","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0685","0.0626","","","0.1587","0.163","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219391","23.89","0.0003","13.3719","0.0001","23.1855","0.0003","90","","101.232","0.001","90","","7264.85","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H60 Cl N12 Ni2 O24 Ta -","- C66 H60 Cl N12 Ni2 O24 Ta -","- C264 H240 Cl4 N48 Ni8 O96 Ta4 -","4","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","1.54184","CuKα","","0.0517","0.05","","","0.1406","0.1419","","","","","","1.094","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219392","14.9775","0.0002","21.8439","0.0002","22.3074","0.0003","90","","90","","90","","7298.25","0.15","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H58 Cl N12 Ni2 O25 Ta -","- C66 H58 Cl N12 Ni2 O25 Ta -","- C264 H232 Cl4 N48 Ni8 O100 Ta4 -","4","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","0.71073","MoKα","","0.047","0.036","","","0.0774","0.0793","","","","","","0.965","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219393","9.2921","0.0003","12.8702","0.0003","18.9812","0.0005","84.66","0.002","75.969","0.002","85.056","0.002","2187.94","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N10 Ni2 O14 -","- C44 H34 N10 Ni2 O14 -","- C88 H68 N20 Ni4 O28 -","2","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII–TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","1.54184","CuKα","","0.0509","0.0432","","","0.1218","0.1352","","","","","","1.059","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219407","7.3985","0.0005","7.516","0.0005","13.5827","0.0009","100.737","0.001","93.491","0.001","103.171","0.001","718.32","0.08","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C32 H32 N8 O4 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.052","0.0437","","","0.1327","0.1384","","","","","","1.074","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219408","8.0716","0.0009","9.9236","0.0012","11.1322","0.0013","65.872","0.001","80.149","0.002","74.023","0.002","780.6","0.16","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C34 H36 N8 O4 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.0645","0.0575","","","0.1665","0.1754","","","","","","1.089","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219409","7.811","0.002","12.55","0.004","16.146","0.005","94.579","0.005","91.539","0.004","98.774","0.005","1558","0.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N8 O4 -","- C33 H34 N8 O4 -","- C66 H68 N16 O8 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.097","0.0645","","","0.1692","0.1986","","","","","","0.903","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219427","9.8829","0.0004","13.787","0.007","6.0816","0.0003","90","","90","","90","","828.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0405","0.0358","","","0.0833","0.0876","","","","","","1.097","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219428","9.431","0.0008","12.826","0.016","5.6952","0.0005","90","","90","","90","","688.9","0.9","293","2","293","2","","","6300000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0594","0.055","","","0.1494","0.1561","","","","","","1.195","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219429","5.2593","0.0014","13.1","0.04","4.7408","0.001","90","","94.32","0.03","90","","325.7","1","293","2","293","2","","","6200000","50000","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.1544","0.1358","","","0.4099","0.4384","","","","","","2.091","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219430","9.1235","0.0014","12.78","0.02","5.7014","0.0011","90","","90","","90","","664.8","1.1","293","2","293","2","","","8030000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.1083","0.0812","","","0.206","0.2498","","","","","","1.138","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219431","9.671","0.002","16.721","0.003","9.76","0.002","90","","94.855","0.004","90","","1572.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Coordination polymer","","","- C14 H14 Cu N4 O4 S -","- C14 H14 Cu N4 O4 S -","- C56 H56 Cu4 N16 O16 S4 -","4","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71073","MoKα","","0.0854","0.0535","","","0.1265","0.1625","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219432","9.927","0.005","9.945","0.005","11.752","0.005","94.242","0.005","104.517","0.005","98.603","0.005","1103","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","coordination polymer","","","- C24 H18 Cu N4 O4 S -","- C24 H18 Cu N4 O4 S -","- C48 H36 Cu2 N8 O8 S2 -","2","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71069","MoKα","","0.0856","0.0574","","","0.1414","0.1978","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219433","10.07","0.005","10.681","0.006","18.871","0.012","85.22","0.02","74.62","0.02","71.56","0.02","1856.5","1.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Coordination Polymer","","","- C38 H28 Cu2 N4 O8 S -","- C38 H28 Cu2 N4 O8 S -","- C76 H56 Cu4 N8 O16 S2 -","2","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71075","MoKα","","0.1053","0.0948","","","0.1834","0.1894","","","","","","1.187","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219434","16.724","0.003","15.975","0.003","18.456","0.004","90","","91.46","0.03","90","","4929.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Coordination Polymer","","","- C48 H44 Cu2 N8 O13 S2 -","- C48 H36 Cu2 N8 O9 S2 -","- C192 H144 Cu8 N32 O36 S8 -","4","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71073","MoKα","","0.1611","0.0734","","","0.1926","0.228","","","","","","0.871","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219455","9.6655","0.0019","11.002","0.002","15.304","0.003","108.95","0.03","95.14","0.03","109.32","0.03","1416.7","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H28 O22 U2 -","- C16 H10 O13 U2 -","- C32 H20 O26 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0775","0.0521","","","0.1405","0.1778","","","","","","1.108","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219456","10.663","0.002","11.09","0.002","14.718","0.003","106.88","0.03","95.76","0.03","112.99","0.03","1487.3","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N3 O18 U2 -","- C22 H26 N3 O18 U2 -","- C44 H52 N6 O36 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0461","0.0379","","","0.0934","0.0988","","","","","","1.073","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219457","9.6416","0.0019","10.973","0.002","15.997","0.003","109.52","0.03","91.56","0.03","109.61","0.03","1484","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N3 O13 U2 -","- C22 H28 N3 O13 U2 -","- C44 H56 N6 O26 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.1189","0.0761","","","0.1603","0.198","","","","","","1.023","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219458","19.703","0.004","9.5197","0.0019","20.127","0.004","90","","106.26","0.03","90","","3624.2","1.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H42 O31 U2 -","- C16 H10 O15 U2 -","- C64 H40 O60 U8 -","4","0.5","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0874","0.0576","","","0.1451","0.1917","","","","","","1.153","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219459","16.7454","0.0009","8.159","0.0005","20.5264","0.0011","90","","96.749","0.001","90","","2785","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Ag2 N4 O4 -","- C31 H26 Ag2 N4 O4 -","- C124 H104 Ag8 N16 O16 -","4","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0319","0.0265","","","0.0661","0.0701","","","","","","1.027","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219460","10.931","0.002","11.727","0.002","11.928","0.002","98.983","0.003","101.005","0.002","115.316","0.003","1307.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cd N5 O7 -","- C27 H25 Cd N5 O7 -","- C54 H50 Cd2 N10 O14 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.1119","0.0624","","","0.1268","0.1644","","","","","","0.974","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219461","9.5556","0.0004","12.1747","0.0002","12.9664","0.0003","84.089","0.002","89.206","0.003","88.552","0.002","1499.87","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Br4 Cd N4 O5 -","- C27 H22 Br4 Cd N4 O5 -","- C54 H44 Br8 Cd2 N8 O10 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.062","0.0541","","","0.1431","0.1476","","","","","","1.127","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219462","9.3237","0.0004","11.4454","0.0005","13.6744","0.0006","66.862","0.004","78.859","0.003","85.704","0.004","1316.57","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N4 O9 Zn2 -","- C29 H24 N4 O9 Zn2 -","- C58 H48 N8 O18 Zn4 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0327","0.026","","","0.0614","0.0645","","","","","","1.035","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219463","13.8342","0.0009","20.8728","0.0013","14.2205","0.0009","90","","112.779","0.001","90","","3786","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 N4 O8 Zn2 -","- C40 H33 N4 O7 Zn2 -","- C160 H132 N16 O28 Zn8 -","4","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0619","0.0387","","","0.0874","0.0943","","","","","","1.003","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219464","11.7886","0.0005","9.8051","0.0004","12.5957","0.0008","90","","93.596","0.005","90","","1453.05","0.13","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C27 H22 Br4 N4 O5 Zn -","- C27 H22 Br4 N4 O5 Zn -","- C54 H44 Br8 N8 O10 Zn2 -","2","0.5","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0418","0.0321","","","0.0716","0.0771","","","","","","1.045","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219465","33.175","0.004","33.175","0.004","33.175","0.004","90","","90","","90","","36512","8","223","2","223","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C26 H15 Cu O5 -","- C26 H15 Cu O5 -","- C624 H360 Cu24 O120 -","24","0.5","","Duan, Jingui; Li, QianQian; Lu, Zhiyong","A new mesoporous coordination polymer: synthesis, structure, and gas adsorption studies","CrystEngComm","2015","17","10","2087","","10.1039/C5CE00015G","","","0.71073","MoKα","","0.1142","0.1052","","","0.3358","0.3554","","","","","","1.159","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219466","15.3327","0.0004","9.5934","0.0002","15.4363","0.0004","90","","97.199","0.002","90","","2252.67","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Be2 N2 O16 P4 -","- C12 H20 Be2 N2 O16 P4 -","- C48 H80 Be8 N8 O64 P16 -","4","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.0902","0.0888","","","0.25","0.2515","","","","","","1.066","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219467","22.8218","0.0003","21.5546","0.0003","9.492","0.0001","90","","91.3","0.001","90","","4668.05","0.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Be2 N2 O16 P4 -","- C14 H21 Be2 N2 O16 P4 -","- C112 H168 Be16 N16 O128 P32 -","8","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.068","0.0631","","","0.1747","0.1812","","","","","","1.043","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219468","14.6958","0.0004","11.6451","0.0004","20.5912","0.0006","90","","93.811","0.002","90","","3516.06","0.19","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H27 Be5 N4 O28 P7 -","- C20 H27 Be5 N4 O28 P7 -","- C80 H108 Be20 N16 O112 P28 -","4","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","0.71073","MoKα","","0.0472","0.0415","","","0.0926","0.0955","","","","","","1.069","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219469","4.8173","0.0003","12.0871","0.0007","12.6085","0.0009","62.332","0.007","79.518","0.005","84.052","0.005","639.2","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H9 Be3 N O13 P3 -","- C5 H6 Be3 N O13 P3 -","- C10 H12 Be6 N2 O26 P6 -","2","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.0804","0.0765","","","0.2028","0.2092","","","","","","1.076","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219470","10.42385","0.00017","10.42385","0.00017","21.7533","0.0002","90","","90","","120","","2046.97","0.05","295","","295","","","","","","","","","3","P 31","P 31","144","TPymT","2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","","- C15 H9 N9 -","- C15 H9 N9 -","- C90 H54 N54 -","6","2","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","1.5418","CuKα","","","","","","","","","13.4694","4.3639","","","","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219471","5.55795","0.00014","7.25941","0.00012","7.726","0.0002","84.431","0.002","71.913","0.003","80.163","0.002","291.642","0.013","295","","295","","","","","","","","","3","P -1","-P 1","2","pyrimidine-2-carboximidamide","pyrimidine-2-carboximidamide","","- C5 H6 N4 -","- C5 H6 N4 -","- C10 H12 N8 -","2","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","0.68884","synchrotron","","","","","","","","","16.3048","93.25","","","","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219472","3.97105","0.00006","8.1277","0.00014","16.0709","0.0003","90","","90","","90","","518.696","0.015","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-cyanopyrimidine","2-cyanopyrimidine","","- C5 H3 N3 -","- C5 H3 N3 -","- C20 H12 N12 -","4","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","0.68884","synchrotron","","","","","","","","","11.1463","29.33","","","","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219473","10.4339","0.001","10.4339","0.001","21.467","0.002","90","","90","","120","","2023.9","0.3","150","2","150","2","","","","","","","","3","P 31 2 1","P 31 2""","152","TPymT","2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","","- C15 H9 N9 -","- C15 H9 N9 -","- C90 H54 N54 -","6","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","","","0.71073","MoKα","","0.1748","0.1119","","","0.2604","0.3366","","","","","","1.015","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219474","40.11","0.005","40.11","0.005","40.11","0.005","90","","90","","90","","64529","14","298","2","298","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C132 H79 N3 O66 Pb13 S24 -","- C120 H24 O57 Pb13 S24 -","- C1920 H384 O912 Pb208 S384 -","16","0.0833333","","Shen, Yu; Zhu, Hai-Bin; Hu, Jun; Zhao, Yue","Construction of a metal‒organic framework by octuple intercatenation of discrete icosahedral coordination cages","CrystEngComm","2015","17","10","2080","","10.1039/C4CE02207F","","","0.71073","MoKα","","0.0764","0.0504","","","0.1403","0.1463","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219475","10.0139","0.0007","11.6798","0.0009","17.7036","0.0013","82.36","0.001","87.038","0.001","69.44","0.001","1921.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H39 Cl3 N4 O8 -","- C41 H39 Cl3 N4 O8 -","- C82 H78 Cl6 N8 O16 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0766","0.0479","","","0.1163","0.1347","","","","","","1.006","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219476","11.2616","0.0007","12.427","0.0008","15.9572","0.001","68.17","0.001","74.522","0.001","65.9","0.001","1874.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H40 Cl2 N4 O8 -","- C41 H40 Cl2 N4 O8 -","- C82 H80 Cl4 N8 O16 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0722","0.0566","","","0.1803","0.2031","","","","","","1.07","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219477","8.7063","0.001","11.0579","0.0013","20.271","0.002","99.383","0.002","98.246","0.002","95.472","0.002","1891.4","0.4","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H42 N4 O9 -","- C41 H42 N4 O9 -","- C82 H84 N8 O18 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0857","0.0632","","","0.19","0.2025","","","","","","1.096","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219478","9.9019","0.0012","14.5729","0.0018","27.372","0.003","94.424","0.002","97.048","0.002","100.801","0.002","3830.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H44 N4 O9.5 -","- C43 H44 N4 O9.5 -","- C172 H176 N16 O38 -","4","2","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0692","0.0547","","","0.1576","0.1771","","","","","","1.076","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219479","13.3706","0.0017","24.587","0.003","13.486","0.0017","90","","117.75","0.002","90","","3923.5","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N4 O9 -","- C42 H42 N4 O9 -","- C168 H168 N16 O36 -","4","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.1003","0.0668","","","0.1783","0.211","","","","","","1.017","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219480","8.3355","0.0007","10.7168","0.0009","19.0538","0.0018","90","","95.094","0.001","90","","1695.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 N2 O10 Zn2 -","- C38 H24 N2 O10 Zn2 -","- C76 H48 N4 O20 Zn4 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0869","0.0425","","","0.0729","0.0846","","","","","","0.879","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219481","12.4477","0.001","11.2748","0.0007","13.6629","0.0016","90","","107.632","0.002","90","","1827.4","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 N2 Ni O14 -","- C38 H34 N2 Ni O14 -","- C76 H68 N4 Ni2 O28 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.1014","0.0535","","","0.094","0.1207","","","","","","1.042","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219497","7.48732","0.00015","9.95589","0.00019","33.0328","0.0008","90","","90","","90","","2462.36","0.09","100","2","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 F6 N2 O2 -","- C27 H30 F6 N2 O2 -","- C108 H120 F24 N8 O8 -","4","1","","Łaszcz, M.; Trzcińska, K.; Witkowska, A.; Lipiec-Abramska, E.; Szczepek, W. J.","Phase transition studies of dutasteride crystalline forms","CrystEngComm","2015","17","11","2346","","10.1039/C5CE00036J","","","1.54184","CuKα","","0.0465","0.0367","","","0.0824","0.0869","","","","","","1.04","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219498","11.7715","0.0005","13.0448","0.0007","16.0517","0.0006","90","","101.761","0.004","90","","2413.1","0.19","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 Cl4 N6 O7 Zn2 -","- C46 H32 Cl4 N6 O7 Zn2 -","- C92 H64 Cl8 N12 O14 Zn4 -","2","0.5","","Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","A photoactive porous metal‒organic complex: synthesis, crystal morphology and the influence of photocycloaddition on fluorescence properties and adsorption behavior","CrystEngComm","2015","17","11","2353","","10.1039/C4CE02507E","","","1.54184","CuKα","","0.0658","0.0568","","","0.1688","0.1801","","","","","","1.059","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219499","52.623","0.003","52.623","0.003","52.623","0.003","90","","90","","90","","145723","14","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C58 H45.33 N2 O36.17 Zn8 -","- C58 H21 N2 O36.1667 Zn8 -","- C2784 H1008 N96 O1736 Zn384 -","48","1","","Bai, Shizhe; Zhang, Weiquan; Ling, Yun; Yang, Feilong; Deng, Mingli; Chen, Zhenxia; Weng, Linhong; Zhou, Yaming","Predicting and creating 7-connected Zn4O vertices for the construction of an exceptional metal‒organic framework with nanoscale cages","CrystEngComm","2015","17","9","1923","","10.1039/C4CE02415J","","","0.71073","MoKα","","0.1423","0.086","","","0.2331","0.3012","","","","","","1.096","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219500","12.0295","0.0004","12.0295","0.0004","8.0824","0.0004","90","","90","","90","","1169.59","0.08","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C5 H11 N O -","- C5 H11 N O -","- C40 H88 N8 O8 -","8","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0344","0.0306","","","0.0696","0.0716","","","","","","1.068","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219501","21.3459","0.0007","18.6413","0.0006","5.93539","0.00019","90","","90","","90","","2361.78","0.13","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C5 H11 N O -","- C5 H11 N O -","- C80 H176 N16 O16 -","16","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0285","0.0271","","","0.0686","0.0694","","","","","","1.062","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219502","5.38","0.0002","20.4924","0.0011","6.4026","0.0003","90","","101.745","0.005","90","","691.1","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0387","0.03","","","0.064","0.0687","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219503","11.5417","0.0012","5.0515","0.0005","21.0649","0.0015","90","","90","","90","","1228.1","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H22 N2 O2 -","- C11 H22 N2 O2 -","- C44 H88 N8 O8 -","4","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0509","0.0399","","","0.0825","0.0877","","","","","","1.044","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219504","10.4947","0.001","11.9","0.0011","16.836","0.002","76.943","0.01","81.326","0.01","68.873","0.009","1905","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H22 N2 O4 -","- C11 H22 N2 O4 -","- C66 H132 N12 O24 -","6","3","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.1017","0.054","","","0.1059","0.1144","","","","","","0.905","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219505","16.646","0.006","18.345","0.007","16.309","0.006","90","","108.893","0.004","90","","4712","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N4 O20 Zn3 -","- C44 H42 N4 O20 Zn3 -","- C176 H168 N16 O80 Zn12 -","4","0.5","","He, Hongjie; Zhang, Lina; Deng, Mingli; Chen, Zhenxia; Ling, Yun; Chen, Jinxi; Zhou, Yaming","Acid-induced Zn(ii)-based metal‒organic frameworks for encapsulation and sensitization of lanthanide cations","CrystEngComm","2015","17","11","2294","","10.1039/C5CE00083A","","","0.71073","MoKα","","0.0687","0.0473","","","0.1199","0.1342","","","","","","0.954","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219506","12.145","0.011","30.72","0.03","22.75","0.02","90","","94","0.012","90","","8467","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N2 O25 Zn5 -","- C52 H34 N2 O25 Zn5 -","- C208 H136 N8 O100 Zn20 -","4","0.5","","He, Hongjie; Zhang, Lina; Deng, Mingli; Chen, Zhenxia; Ling, Yun; Chen, Jinxi; Zhou, Yaming","Acid-induced Zn(ii)-based metal‒organic frameworks for encapsulation and sensitization of lanthanide cations","CrystEngComm","2015","17","11","2294","","10.1039/C5CE00083A","","","0.71073","MoKα","","0.0792","0.0619","","","0.1885","0.2021","","","","","","0.934","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219515","7.1603","0.0002","7.2376","0.0002","7.495","0.0003","63.2313","0.0014","69.7053","0.0014","64.984","0.0015","308.331","0.018","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","3-Chloroisonicotinic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0359","0.0313","","","0.0815","0.0848","","","","","","1.018","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219516","7.3267","0.0002","6.6413","0.0002","12.6512","0.0004","90","","92.2254","0.0015","90","","615.13","0.03","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Chloroisonicotinic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C24 H16 Cl4 N4 O8 -","4","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0284","0.0254","","","0.0743","0.0764","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219517","3.6779","0.0001","6.9371","0.0001","7.0372","0.0002","61.6975","0.0014","80.0002","0.0012","89.5122","0.0012","155.117","0.007","90","0.2","90","0.2","","","","","","","","5","P 1","P 1","1","","","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","1","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0165","0.0164","","","0.0461","0.0461","","","","","","1.099","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219518","9.1187","0.0009","10.839","0.001","12.4287","0.0011","66.309","0.001","88.214","0.002","81.725","0.002","1112.7","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N5 O2 -","- C26 H21 N5 O2 -","- C52 H42 N10 O4 -","2","1","","Feng, Xian; Wang, Jian-Jun; Zhang, Juan-Juan; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing","Regioselective synthesis of functionalized [1,8]naphthyridine derivatives via three-component domino reaction under catalyst-free conditions","Green Chem.","2015","17","2","973","","10.1039/C4GC01469C","","","0.71073","MoKα","","0.1342","0.0595","","","0.0957","0.1339","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219519","8.5318","0.001","10.724","0.002","13.1003","0.0018","74.306","0.014","87.632","0.01","81.193","0.012","1140.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N5 O2 -","- C27 H23 N5 O2 -","- C54 H46 N10 O4 -","2","1","","Feng, Xian; Wang, Jian-Jun; Zhang, Juan-Juan; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing","Regioselective synthesis of functionalized [1,8]naphthyridine derivatives via three-component domino reaction under catalyst-free conditions","Green Chem.","2015","17","2","973","","10.1039/C4GC01469C","","","1.54178","CuKα","","0.2516","0.1399","","","0.2392","0.2855","","","","","","1.19","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219543","10.337","0.002","11.655","0.002","13.504","0.003","90","","108.17","0.03","90","","1545.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H45.5 Cl2 N2 O14.5 -","- C21 H46 Cl2 N2 O14.5 -","- C42 H92 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1361","0.0916","","","0.2373","0.2601","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219544","10.432","0.013","11.734","0.014","13.639","0.016","90","","108.53","0.02","90","","1583","3","368","2","368","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H46 Cl2 N2 O14.5 -","- C21 H45.5 Cl2 N2 O14.5 -","- C42 H91 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1254","0.0894","","","0.2177","0.2532","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219545","15.0933","0.0002","15.0933","0.0002","10.0587","0.0002","90","","90","","90","","2291.45","0.06","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Ba Li2 N6 O10 -","- C16 H18 Ba Li2 N6 O10 -","- C64 H72 Ba4 Li8 N24 O40 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.04","0.0252","","","0.047","0.0542","","","","","","1.008","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219546","14.7246","0.0002","14.7246","0.0002","10.2236","0.0003","90","","90","","90","","2216.62","0.08","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Li2 N6 O10 Sr -","- C16 H18 Li2 N6 O10 Sr -","- C64 H72 Li8 N24 O40 Sr4 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0373","0.0272","","","0.0531","0.057","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219547","10.8783","0.0003","28.3945","0.0007","9.2141","0.0002","90","","90","","90","","2846.09","0.12","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","none","","","- C14 H13.33333 Ba Li2 N5.33333 O9.33333 -","- C14 H13.3333 Ba Li2 N5.33333 O9.33333 -","- C84 H80 Ba6 Li12 N32 O56 -","6","1.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0398","0.0326","","","0.0585","0.0622","","","","","","1.006","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7219548","7.5044","0.0013","11.9291","0.0019","14.8473","0.0019","90","","90","","90","","1329.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","1","","Ren, Lanhui; Wang, Lianyue; Lv, Ying; Shang, Sensen; Chen, Bo; Gao, Shuang","Synthesis of 6,7-dihydro-5H-cyclopenta[b]pyridin-5-one analogues through manganese-catalyzed oxidation of the CH2adjacent to pyridine moiety in water","Green Chem.","2015","17","4","2369","","10.1039/C4GC02471K","","","0.71073","MoKα","","0.0693","0.0552","","","0.1269","0.1383","","","","","","1.085","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219555","8.8372","0.0002","9.5138","0.0002","18.1928","0.0004","81.938","0.001","77.483","0.001","68.091","0.001","1382.39","0.05","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","1","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.0372","0.0317","","","0.0673","0.0698","","","","","","1.023","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219556","5.3536","0.0005","10.1811","0.0009","17.2836","0.0015","95.641","0.004","97.596","0.005","90.246","0.006","929.12","0.14","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C13 H10.33 Cr0.33 N0.33 Na0.33 O4.33 S8 -","- C12.9997 H10.3331 Cr0.3333 N0.3333 Na0.3333 O4.3329 S8 -","- C25.9994 H20.6662 Cr0.6666 N0.6666 Na0.6666 O8.6658 S16 -","2","2","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.2085","0.1145","","","0.2357","0.2806","","","","","","1.587","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219557","10.4088","0.0004","14.7524","0.0008","18.2275","0.0008","90","","94.741","0.003","90","","2789.3","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H27 Cr N Na O12 S24 -","- C38 H27 Cr N Na O12 S24 -","- C76 H54 Cr2 N2 Na2 O24 S48 -","2","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.1754","0.099","","","0.2","0.2413","","","","","","1.068","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219563","7.516","0.004","13.068","0.006","14.645","0.007","90","","99.759","0.011","90","","1417.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cu4 N6 O18 -","- C24 H24 Cu4 N6 O18 -","- C48 H48 Cu8 N12 O36 -","2","0.5","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.7107","MoKα","","0.0905","0.0645","","","0.1527","0.1762","","","","","","1.074","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219564","6.895","0.003","8.881","0.004","13.473","0.006","98.359","0.011","99.914","0.012","94.388","0.009","799.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N6 O22 Zn4 -","- C24 H32 N6 O22 Zn4 -","- C24 H32 N6 O22 Zn4 -","1","0.5","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.7107","MoKα","","0.0996","0.071","","","0.1699","0.1924","","","","","","1.073","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219565","8.4824","0.0017","11.011","0.002","18.583","0.004","78.75","0.03","81.03","0.03","69.88","0.03","1591","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd3 N6 O18 -","- C24 H26 Cd3 N6 O18 -","- C48 H52 Cd6 N12 O36 -","2","1","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.71075","MoKα","","0.0584","0.0434","","","0.1023","0.1102","","","","","","1.063","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219566","7.052","0.002","8.324","0.003","13.41","0.004","90","","102.299","0.006","90","","769.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","LIGAND ZWITTER ION","","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0602","0.0486","","","0.1357","0.1669","","","","","","1.165","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219567","8.491","0.0017","8.041","0.0016","18.847","0.004","90","","101.16","0.03","90","","1262.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Zn monomer","","","- C7 H13 Cl N2 O7 Zn -","- C7 H13 Cl N2 O7 Zn -","- C28 H52 Cl4 N8 O28 Zn4 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0455","0.0397","","","0.1079","0.1135","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219568","22.552","0.005","10.123","0.002","13.594","0.003","90","","90","","90","","3103.4","1.1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Zinc-herringbone","","","- C21 H25 I N6 O14 Zn2 -","- C21 H25 I N6 O14 Zn2 -","- C84 H100 I4 N24 O56 Zn8 -","4","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0683","0.0527","","","0.1418","0.1576","","","","","","1.035","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219569","7.9324","0.0013","8.4897","0.0014","10.8444","0.0018","80.027","0.003","72.51","0.003","64.679","0.002","628.78","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","ZN DIMER","","","- C14 H18 I N4 O10 Zn2 -","- C14 H18 I N4 O10 Zn2 -","- C14 H18 I N4 O10 Zn2 -","1","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0595","0.0534","","","0.1627","0.1792","","","","","","1.091","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219570","15.075","0.002","8.3079","0.0012","16.676","0.003","90","","92.8","0.003","90","","2086","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","zINC NITRATE MONOMER","","","- C14 H24 N4 O13 Zn -","- C14 H24 N4 O13 Zn -","- C56 H96 N16 O52 Zn4 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0713","0.0516","","","0.1324","0.1726","","","","","","1.143","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219571","8.8373","0.0008","13.3995","0.0008","13.411","0.001","90","","91.947","0.002","90","","1587.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd DDII","","","- C14 H14 Cd N4 O8 -","- C14 H14 Cd N4 O8 -","- C56 H56 Cd4 N16 O32 -","4","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0366","0.0316","","","0.0752","0.1078","","","","","","1.252","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219572","23.7739","0.0006","16.0647","0.0003","11.8936","0.0003","90","","99.029","0.003","90","","4486.13","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H56 N16 S10 Sn3 -","- C16 H56 N16 S10 Sn3 -","- C64 H224 N64 S40 Sn12 -","4","0.5","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.0538","0.0369","","","0.0721","0.0785","","","","","","1.051","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219573","5.93925","0.00012","12.1816","0.0002","12.4709","0.0003","90","","90","","90","","902.26","0.03","99.98","0.1","99.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 N2 S3 Sn -","- C2 H12 N2 S3 Sn -","- C8 H48 N8 S12 Sn4 -","4","1","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.0326","0.0316","","","0.0739","0.0747","","","","","","1.242","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219574","16.98717","0.00013","10.54777","0.00007","21.08715","0.00019","90","","108.039","0.0009","90","","3592.61","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","C 1 2 1","C 2y","5","","","","- H26.66667 N6 O1.33333 S9 Sn3 -","- H26.6667 N6 O1.33333 S9 Sn3 -","- H160 N36 O8 S54 Sn18 -","6","1.5","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.018","0.017","","","0.0335","0.0338","","","","","","1.025","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7219575","8.972","0.003","17.266","0.004","14.26","0.005","90","","94.66","0.03","90","","2201.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 O4 S2 -","- C23 H32 O2 S -","- C92 H128 O8 S4 -","4","1","","Colella, L.; Brambilla, L.; Nardone, V.; Parisini, E.; Castiglioni, C.; Bertarelli, C.","Outside rules inside: the role of electron-active substituents in thiophene-based heterophenoquinones.","Physical chemistry chemical physics : PCCP","2015","17","16","10426","10437","10.1039/c4cp05748a","","","1.54178","CuKα","","0.1333","0.0842","","","0.229","0.2643","","","","","","1.084","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219585","11.6044","0.0004","13.1169","0.0004","20.4496","0.0009","99.347","0.002","93.793","0.002","113.837","0.002","2779.28","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Mo12 N12 O42 Si -","- C24 H28 Mo12 N12 O42 Si -","- C48 H56 Mo24 N24 O84 Si2 -","2","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.0599","0.0382","","","0.0742","0.0825","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219586","13.1126","0.0015","16.1764","0.0019","17.1279","0.0015","90","","123.896","0.006","90","","3015.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cu Mo4 N8 O13 -","- C16 H24 Cu Mo4 N8 O13 -","- C64 H96 Cu4 Mo16 N32 O52 -","4","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.1062","0.0573","","","0.1219","0.1441","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219587","23.3171","0.0013","15.7546","0.0009","12.0657","0.0007","90","","94.949","0.001","90","","4415.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C54 H59 Mo12 N27 O45 Si -","- C54 H59 Mo12 N27 O45 Si -","- C108 H118 Mo24 N54 O90 Si2 -","2","0.25","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.0632","0.0514","","","0.1396","0.1479","","","","","","1.061","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219588","7.068","0.0004","10.3127","0.0005","14.2953","0.0007","81.736","0.003","77.874","0.002","70.655","0.002","958.11","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","((1Z)-N-(benzylcarbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H21 Fe N3 S -","- C20 H21 Fe N3 S -","- C40 H42 Fe2 N6 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0366","0.0296","","","0.0745","0.0786","","","","","","1.032","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219589","19.7141","0.0014","7.0263","0.0004","28.099","0.002","90","","90.386","0.002","90","","3892.1","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((2-chlorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 Cl Fe N3 S -","- C20 H20 Cl Fe N3 S -","- C160 H160 Cl8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0589","0.0358","","","0.0788","0.0895","","","","","","1.016","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219590","7.1685","0.0003","10.3397","0.0004","14.596","0.0006","80.533","0.002","81.113","0.001","70.067","0.002","997.53","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","((1Z)-N-((4-methoxybenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C21 H23 Fe N3 O S -","- C21 H23 Fe N3 O S -","- C42 H46 Fe2 N6 O2 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0416","0.0306","","","0.0735","0.0799","","","","","","1.045","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219591","18.8634","0.0013","7.1602","0.0005","27.7613","0.0018","90","","92.83","0.004","90","","3745","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((2-fluorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 F Fe N3 S -","- C20 H20 F Fe N3 S -","- C160 H160 F8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0609","0.0347","","","0.0714","0.083","","","","","","1.026","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219592","19.0887","0.0009","7.2037","0.0003","27.4267","0.0012","90","","91.056","0.002","90","","3770.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((4-flourobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 F Fe N3 S -","- C20 H20 F Fe N3 S -","- C160 H160 F8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0448","0.0313","","","0.0718","0.0782","","","","","","1.025","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219603","23.286","0.002","17.2577","0.0016","18.2221","0.0017","90","","126.661","0.003","90","","5874.2","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 Cd2 N5 O12 -","- C21 H23 Cd2 N5 O12 -","- C168 H184 Cd16 N40 O96 -","8","1","","Xia, Yu-Pei; Li, Yun-Wu; Li, Da-Cheng; Yao, Qing-Xia; Du, Yu-Chang; Dou, Jian-Min","A new Cd(ii)-based metal‒organic framework for highly sensitive fluorescence sensing of nitrobenzene","CrystEngComm","2015","17","12","2459","","10.1039/C5CE00162E","","","0.71073","MoKα","","0.1442","0.0707","","","0.1428","0.1616","","","","","","1.009","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219611","10.7259","0.0009","14.2208","0.0012","14.8907","0.0012","92.508","0.001","93.72","0.001","98.825","0.001","2236.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cl6 N6 O8 -","- C44 H42 Cl6 N6 O8 -","- C88 H84 Cl12 N12 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0782","0.0637","","","0.1797","0.1951","","","","","","1.065","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219612","10.8333","0.0015","14.2199","0.0019","15.066","0.002","93.122","0.002","108.057","0.002","99.045","0.002","2165.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H33 Cl3 F10 N4 O8 -","- C45 H33 Cl3 F10 N4 O8 -","- C90 H66 Cl6 F20 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0876","0.0592","","","0.1666","0.1893","","","","","","1.157","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219613","11.0037","0.0013","13.2032","0.0014","17.428","0.003","89.128","0.002","76.376","0.002","72.207","0.011","2338.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 Cl6 N6 O10 -","- C46 H46 Cl6 N6 O10 -","- C92 H92 Cl12 N12 O20 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.1276","0.107","","","0.2451","0.2575","","","","","","1.136","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219614","11.1774","0.0014","13.9112","0.0018","26.663","0.003","90","","97.601","0.002","90","","4109.4","0.9","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Cl3 N4 O8 -","- C45 H39 Cl3 N4 O8 -","- C180 H156 Cl12 N16 O32 -","4","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0489","0.0381","","","0.0987","0.104","","","","","","1.083","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219615","12.9379","0.0012","13.0294","0.0012","15.7092","0.0014","114.083","0.001","93.522","0.001","111.344","0.001","2182.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H41 Cl3 F2 N3 O8.5 -","- C47 H41 Cl3 F2 N3 O8.5 -","- C94 H82 Cl6 F4 N6 O17 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0671","0.055","","","0.1622","0.1746","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219616","13.1674","0.0015","13.8587","0.0016","15.664","0.0018","64.005","0.002","85.984","0.002","67.813","0.002","2363.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H43.5 Cl4.5 N4 O8 -","- C53.5 H43.5 Cl4.52 N4 O8 -","- C107 H87 Cl9.04 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0965","0.0784","","","0.2216","0.2403","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219617","10.9368","0.0013","14.8456","0.0018","15.7583","0.0019","71.07","0.002","89.029","0.002","69.365","0.002","2251.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H43 Cl3 N4 O8 -","- C49 H43 Cl3 N4 O8 -","- C98 H86 Cl6 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.1059","0.0565","","","0.1485","0.1818","","","","","","1.021","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219621","14.699","0.004","14.699","0.004","19.102","0.005","90","","90","","120","","3574.3","1.7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","","Liu, Guangfeng; Liu, Jie; Zheng, Xiaoxin; Liu, Yang; Yuan, Dongsheng; Zhang, Xixia; Gao, Zeliang; Tao, Xutang","Bulk crystal growth and characterization of semi-organic nonlinear optical crystal tri-diethylammonium hexachlorobismuthate (TDCB)","CrystEngComm","2015","17","12","2569","","10.1039/C4CE02182G","","","0.71069","MoKα","","0.0109","0.0109","","","0.0295","0.0295","","","","","","1.092","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219622","5.1179","0.0008","12.2079","0.0018","12.7508","0.0019","90","","90","","90","","796.7","0.2","100","2","100","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","1","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0273","0.0264","","","0.0628","0.0634","","","","","","1.09","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219623","5.3615","0.0005","15.8123","0.0015","9.9631","0.0009","90","","90.899","0.002","90","","844.54","0.14","100","2","100","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0346","0.0323","","","0.0777","0.079","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219624","6.2475","0.0004","7.1111","0.0006","17.3692","0.0011","90","","96.792","0.005","90","","766.24","0.09","298","2","293","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Hydantoin-5-propionic acid","3-(2,5-dioxoimidazolidin-4-yl) propanoic acid","","- C6 H8 N2 O4 -","- C6 H8 N2 O4 -","- C24 H32 N8 O16 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0408","0.0362","","","0.0804","0.0855","","","","","","1.068","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219625","12.7832","0.0001","12.7832","0.0001","32.5345","0.0007","90","","90","","90","","5316.47","0.13","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C80 H74 Cd N8 O12 -","- C80 H64 Cd N8 O12 -","- C160 H128 Cd2 N16 O24 -","2","0.25","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chen-Chuan; Lu, Kuang-Lieh","A huge diamondoid metal‒organic framework with a neo-mode of tenfold interpenetration","CrystEngComm","2015","17","15","2935","","10.1039/C5CE00037H","","","0.71073","MoKα","","0.1059","0.0574","","","0.1404","0.155","","","","","","0.963","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219632","14.6268","0.0002","18.3253","0.0003","15.3798","0.0002","90","","118.011","0.001","90","","3639.5","0.1","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H89 Cl3 N26 O24 -","- C53 H61 Cl3 N26 O24 -","- C106 H122 Cl6 N52 O48 -","2","1","","Xiao, Xin; Gao, Zhong-Zheng; Shan, Cheng-Long; Tao, Zhu; Zhu, Qian-Jiang; Xue, Sai-Feng; Liu, Jing-Xin","Encapsulation of haloalkane 1-(3-chlorophenyl)-4-(3-chloropropyl)-piperazinium in symmetrical α,α',δ,δ'-tetramethyl-cucurbit[6]uril.","Physical chemistry chemical physics : PCCP","2015","17","14","8618","8621","10.1039/c5cp00152h","","","0.71073","MoKα","","0.0881","0.085","","","0.2321","0.2391","","","","","","1.03","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219639","5.2162","0.0004","12.3693","0.0009","13.1192","0.0009","90","","99.065","0.003","90","","835.89","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminoquinaldine form I","2-methyl-4-amino-quinoline form I","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.","CrystEngComm / RSC","2015","17","12","2504","2516","10.1039/C5CE00118H","","x-ray","0.71073","MoKα","","0.0532","0.0365","","","0.1001","0.1062","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219640","28.4074","0.0008","28.4074","0.0008","11.9126","0.0005","90","","90","","120","","8325.3","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","4-aminoquinaldine form II","2-methyl-4-amino-quinoline form II","","- C10.08 H10 Cl0.33 N2 -","- C10.0833 H10 Cl0.3334 N2 -","- C363 H360 Cl12.0024 N72 -","36","2","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.","CrystEngComm / RSC","2015","17","12","2504","2516","10.1039/C5CE00118H","","x-ray","0.71073","MoKα","","0.0673","0.0564","","","0.1538","0.1637","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219641","8.2583","0.0007","9.0938","0.0007","9.1385","0.0007","88.094","0.005","77.372","0.005","80.171","0.005","659.86","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(2-bromopyridine)","","- C12 H8 Br Cl N2 O4 -","- C12 H8 Br Cl N2 O4 -","- C24 H16 Br2 Cl2 N4 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0727","0.0562","","","0.1446","0.1579","","","","","","1.007","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219642","9.8994","0.0003","11.937","0.0004","13.4905","0.0006","110.222","0.002","96.641","0.002","107.059","0.001","1387.59","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(3-amino-2-bromopyridine)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C48 H36 Br4 Cl4 N12 O16 -","4","2","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0513","0.0385","","","0.1038","0.1081","","","","","","0.993","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219643","7.0984","0.0002","24.0534","0.0007","15.7748","0.0005","90","","93.424","0.002","90","","2688.59","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-chloro-4-nitrobenzoic acid)(3-amino-2-chloropyridine)","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C96 H72 Cl16 N24 O32 -","8","2","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0516","0.0344","","","0.0818","0.0873","","","","","","0.985","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219644","3.737","0.0003","12.6714","0.0011","14.3717","0.0013","90","","94.984","0.002","90","","677.97","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-chloro-4-nitrobenzoic acid)(2-amino-5-nitropyridine)","","- C12 H9 Cl N4 O6 -","- C12 H9 Cl N4 O6 -","- C24 H18 Cl2 N8 O12 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.1057","0.1033","","","0.2886","0.2908","","","","","","1.176","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219645","6.435","0.0002","10.3354","0.0003","11.2546","0.0004","98.577","0.002","105.074","0.001","98.022","0.002","702.11","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-3-bromopyridinium)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C24 H18 Br2 Cl2 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0333","0.0279","","","0.0709","0.0729","","","","","","0.986","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219646","6.1583","0.0002","9.9176","0.0002","11.1477","0.0003","83.332","0.002","76.262","0.001","77.053","0.001","643.14","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(2-chloro-3-hydroxypyridine)","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C24 H16 Cl4 N4 O10 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0389","0.0281","","","0.0723","0.0783","","","","","","1.014","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219647","3.9305","0.0002","12.4261","0.0006","13.8457","0.0007","94.312","0.002","91.431","0.002","96.374","0.002","669.77","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-5-bromopyridinium)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C24 H18 Br2 Cl2 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0375","0.029","","","0.0661","0.0689","","","","","","0.907","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219648","3.8601","0.0002","12.3629","0.0006","13.9025","0.0007","93.742","0.002","91.893","0.002","96.066","0.002","657.8","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-5-chloropyridinium)","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C24 H18 Cl4 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0642","0.0422","","","0.0896","0.0978","","","","","","0.92","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219649","15.5907","0.0012","25.242","0.002","7.1987","0.0006","90","","100.654","0.005","90","","2784.1","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Cl N2 O4 -","- C14 H13 Cl N2 O4 -","- C112 H104 Cl8 N16 O32 -","8","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0591","0.0381","","","0.0933","0.1016","","","","","","0.982","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219650","4.59","0.004","8.336","0.007","15.282","0.013","90","","96.929","0.017","90","","580.5","0.9","100","2","100","2","","","","","","","Isabelle Kirby","4","P 1 21 1","P 2yb","4","1-(4-nitrophenyl)-3-(phenyl)urea","1-(4-nitrophenyl)-3-(phenyl)urea","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0492","0.0448","","","0.1159","0.1185","","","","","","1.071","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219651","5.6328","0.0007","7.7579","0.0009","28.178","0.004","90","","92.324","0.007","90","","1230.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-nitrophenyl)-3-phenyl thiourea","","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C52 H44 N12 O8 S4 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0562","0.0428","","","0.1002","0.1066","","","","","","1.024","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219652","13.8899","0.0018","24.389","0.003","3.6682","0.0004","90","","90","","90","","1242.6","0.3","35","2","35","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,3-bis(4-nitrophenyl)urea","","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.6889","","","0.0429","0.0424","","","0.1101","0.111","","","","","","1.133","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219653","8.2109","0.0005","25.4709","0.0018","12.5244","0.0009","90","","96.054","0.002","90","","2604.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-bis(4-nitrophenyl)thiourea","","","- C13 H10 N4 O4 S -","- C13 H10 N4 O4 S -","- C104 H80 N32 O32 S8 -","8","2","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0569","0.0502","","","0.1416","0.1463","","","","","","1.059","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219654","8.41","0.006","24.362","0.018","11.143","0.008","90","","106.286","0.007","90","","2191","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-nitropheny)-3-phenylurea TEACl","","","- C21 H31 Cl N4 O3 -","- C21 H31 Cl N4 O3 -","- C84 H124 Cl4 N16 O12 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.6889","","","0.057","0.045","","","","0.046","","","","","","1.831","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219655","9.1587","0.0014","10.2436","0.0016","17.871","0.003","87.983","0.006","79.043","0.005","72.22","0.006","1567","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","","- C30 H34 Cl N7 O4 S2 -","- C30 H34 Cl N7 O4 S2 -","- C60 H68 Cl2 N14 O8 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.051","0.035","","","","0.045","","","","","","1.746","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219656","8.968","0.002","15.649","0.004","15.899","0.004","113.061","0.001","103.685","0.003","101.701","0.002","1882.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-bis(4-nitrophenyl)thiourea TEA CL","1,3-bis(4-nitrophenyl)thiourea TEA CL","","- C34 H40 Cl N9 O8 S2 -","- C34 H40 Cl N9 O8 S2 -","- C68 H80 Cl2 N18 O16 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.056","0.04","","","","0.057","0.054","","","","","2.556","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219657","8.393","0.002","24.366","0.006","11.151","0.003","90","","106.57","0.005","90","","2185.7","1","100","2","100","2","","","","","","","Isabelle L Kirby","5","P 1 21/n 1","-P 2yn","14","1-(4-nitrophenyl)-3-phenylurea with TEACl","1-(4-nitrophenyl)-3-phenylurea with TEACl","","- C21 H31 Cl N4 O3 -","- C21 H31 Cl N4 O3 -","- C84 H124 Cl4 N16 O12 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0869","0.0714","","","0.1555","0.1654","","","","","","1.096","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219658","9.1587","0.0014","10.2436","0.0016","17.871","0.003","87.983","0.006","79.043","0.005","72.22","0.006","1567","0.4","100","2","100","2","","","","","","","Isabelle Kirby","6","P -1","-P 1","2","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","","- C30 H34 Cl N7 O4 S2 -","- C30 H34 Cl N7 O4 S2 -","- C60 H68 Cl2 N14 O8 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0341","0.0336","","","0.1082","0.1088","","","","","","1.289","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219659","8.968","0.002","15.649","0.004","15.899","0.004","113.061","0.001","103.685","0.003","101.701","0.002","1882.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-bis(4-nitrophenyl)thiourea TEA CL","","","- C34 H40 Cl N9 O8 S2 -","- C34 H40 Cl N9 O8 S2 -","- C68 H80 Cl2 N18 O16 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0444","0.0436","","","0.1371","0.1377","","","","","","1.632","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219669","8.1858","0.0002","11.5886","0.0002","12.1497","0.0002","90","","108.44","0.001","90","","1093.37","0.04","296","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0433","0.0409","","","0.1071","0.1087","","","","","","1.069","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219670","8.0741","0.0002","8.8856","0.0002","10.7962","0.0003","94.179","0.001","107.25","0.001","108.943","0.001","687.28","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C32 H30 N4 O4 -","- C32 H30 N4 O4 -","- C32 H30 N4 O4 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0373","0.0333","","","0.0854","0.088","","","","","","1.081","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219671","8.1184","0.0002","9.9587","0.0003","10.905","0.0003","106.597","0.002","108.702","0.001","100.101","0.002","764.91","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0449","0.0421","","","0.1199","0.1237","","","","","","1.097","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219672","10.8407","0.0002","7.9198","0.0002","17.3513","0.0004","90","","96.968","0.001","90","","1478.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[di(thien-2-yl)hydroxymethyl]benzene pyrrolidine disolvate","","- C32 H36 N2 O2 S4 -","- C32 H36 N2 O2 S4 -","- C64 H72 N4 O4 S8 -","2","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0373","0.0357","","","0.0959","0.097","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219673","7.9103","0.0001","8.5838","0.0002","11.5231","0.0002","109.713","0.001","90.629","0.001","115.931","0.001","650.7","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(thien-2-yl)hydroxymethyl]benzene dioxane solvate","","- C28 H26 O4 S4 -","- C28 H26 O4 S4 -","- C28 H26 O4 S4 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0349","0.0324","","","0.0785","0.0795","","","","","","1.042","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219674","8.3478","0.0018","8.0618","0.0017","32.729","0.007","90","","90.315","0.006","90","","2202.6","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C112 H88 N16 O8 -","4","1","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.1203","0.0556","","","0.1037","0.12","","","","","","0.938","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219675","8.2873","0.001","10.6627","0.0012","12.9725","0.0018","97.625","0.007","107.153","0.007","93.365","0.009","1079.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","1","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.045","0.0356","","","0.0843","0.0886","","","","","","1.06","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219676","10.6246","0.0003","12.9366","0.0003","16.5166","0.0005","107.177","0.001","93.355","0.002","97.558","0.001","2138.65","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C112 H88 N16 O8 -","4","2","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0994","0.0378","","","0.1076","0.1194","","","","","","0.939","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219677","7.7444","0.0007","8.2359","0.0008","8.8697","0.0008","66.62","0.009","71.005","0.008","82.957","0.008","490.99","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-adipate)-bis(pyridine-4-aldoxime)copper(II)}","","","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","1","0.5","","Croitor, Lilia; Grabco, Daria Z.; Coropceanu, Eduard B.; Pyrtsac, Constantin; Fonari, Marina S.","Structure and mechanical features of one-dimensional coordination polymer catena-{(μ2-adipato-O,O′)-bis(pyridine-4-aldoxime)-copper(ii)}","CrystEngComm","2015","17","12","2450","","10.1039/C4CE02444C","","","0.71073","MoKα","","0.0434","0.0393","","","0.0948","0.1","","","","","","0.999","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219679","9.837","0.002","16.124","0.004","8.643","0.003","90","","90","","90","","1370.9","0.6","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1254","0.088","","","0.235","0.2702","","","","","","1.089","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219680","8.3591","0.0003","10.4196","0.0007","19.0455","0.0009","88.407","0.005","88.481","0.003","76.34","0.004","1610.95","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H59 N4 O16 -","- C75 H59 N4 O16 -","- C75 H59 N4 O16 -","1","0.5","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0749","0.0468","","","0.1082","0.1247","","","","","","0.991","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219681","8.404","0.0005","11.693","0.001","15.24","0.001","97.881","0.006","93.354","0.005","96.81","0.006","1468.73","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","2","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1557","0.0705","","","0.1271","0.1574","","","","","","1.01","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219682","9.188","0.005","13.284","0.007","14.477","0.008","68.21","0.05","81.24","0.04","75.69","0.04","1586.2","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","2","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1287","0.0654","","","0.1146","0.1365","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219683","3.8289","0.0001","23.3314","0.0007","7.4554","0.0002","90","","98.153","0.003","90","","659.29","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","1.54184","CuKα","","0.0272","0.027","","","0.0746","0.0749","","","","","","1.085","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219684","14.8231","0.0009","7.7177","0.0006","25.714","0.002","90","","97.692","0.007","90","","2915.2","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H6 Br2 N2 O4 -","- C14 H6 Br2 N2 O4 -","- C112 H48 Br16 N16 O32 -","8","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.105","0.0491","","","0.1076","0.133","","","","","","0.964","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219685","14.0897","0.0003","4.8183","0.0001","22.6757","0.0003","90","","90.607","0.002","90","","1539.33","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","1.54184","CuKα","","0.0497","0.0465","","","0.1249","0.1289","","","","","","1.077","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219686","6.975","0.0012","3.876","0.001","23.998","0.003","90","","91.227","0.012","90","","648.6","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0839","0.0724","","","0.2049","0.2172","","","","","","1.14","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219687","59.519","0.002","12.942","0.005","7.623","0.002","90","","90","","90","","5872","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C240 H224 N32 O96 -","16","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0503","0.0433","","","0.0973","0.1012","","","","","","1.012","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219688","14.2831","0.0002","29.8625","0.0004","18.2631","0.0003","90","","106.968","0.0017","90","","7450.6","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H74 Ce2 N4 O24 -","- C81 H67 Ce2 N4 O24 -","- C324 H268 Ce8 N16 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0449","0.038","","","0.1012","0.1063","","","","","","1.029","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219689","14.26463","0.00015","29.8504","0.0003","18.2812","0.0002","90","","107.012","0.0012","90","","7443.61","0.14","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Pr2 -","- C79.5 H63.5 N3.5 O24 Pr2 -","- C318 H254 N14 O96 Pr8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0514","0.0369","","","0.0812","0.0873","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219690","14.21191","0.00016","29.7396","0.0003","18.3087","0.0003","90","","107.002","0.0014","90","","7400.11","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 Nd2 O24 -","- C79.5 H63 N3.5 Nd2 O24 -","- C318 H252 N14 Nd8 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0558","0.0409","","","0.0988","0.1067","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219691","14.1785","0.0002","29.6106","0.0004","18.3573","0.0003","90","","107.029","0.0017","90","","7369.1","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Sm2 -","- C79.5 H64 N3.5 O24 Sm2 -","- C318 H256 N14 O96 Sm8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.062","0.0393","","","0.0829","0.0917","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219692","14.1379","0.00015","29.5535","0.0003","18.3735","0.0003","90","","107.03","0.0013","90","","7340.29","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 Eu2 N3.5 O24 -","- C79.5 H66 Eu2 N3.5 O24 -","- C318 H264 Eu8 N14 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0475","0.0356","","","0.0762","0.081","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219693","14.1188","0.00017","29.5116","0.0003","18.3851","0.0003","90","","107.017","0.0014","90","","7325.1","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 Gd2 N3.5 O24 -","- C79.5 H67 Gd2 N3.5 O24 -","- C318 H268 Gd8 N14 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0477","0.0342","","","0.0746","0.0802","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219694","14.0878","0.0003","29.4702","0.0007","18.4237","0.0004","90","","107.034","0.002","90","","7313.4","0.3","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Tb2 -","- C79.5 H66 N3.5 O24 Tb2 -","- C318 H264 N14 O96 Tb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0658","0.0387","","","0.0787","0.0872","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219695","14.042","0.003","29.367","0.006","18.456","0.004","90","","107.15","0.03","90","","7272","3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Ho2 N3 O25 -","- C78 H69 Ho2 N3 O25 -","- C312 H276 Ho8 N12 O100 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.71073","MoKα","","0.0824","0.0686","","","0.1334","0.1402","","","","","","1.168","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219696","14.0233","0.0004","29.311","0.0008","18.4183","0.0009","90","","107.095","0.004","90","","7236.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Er2 N3 O25 -","- C78 H69 Er2 N3 O25 -","- C312 H276 Er8 N12 O100 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0453","0.0358","","","0.0901","0.0954","","","","","","1.021","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219697","14.0088","0.0004","29.2317","0.0006","18.4902","0.0005","90","","107.187","0.003","90","","7233.6","0.3","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 N3 O25 Yb2 -","- C78 H67 N3 O25 Yb2 -","- C312 H268 N12 O100 Yb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.1236","0.0654","","","0.0991","0.1177","","","","","","1.008","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219698","19.0994","0.0002","14.41797","0.00017","30.593","0.0005","90","","90","","90","","8424.53","0.19","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Ho2 N5 O26 -","- C84 H75 Ho2 N5 O26 -","- C336 H300 Ho8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.042","0.0348","","","0.0848","0.0897","","","","","","1.056","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219699","19.0983","0.0003","14.4221","0.0003","30.556","0.001","90","","90","","90","","8416.3","0.4","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Er2 N5 O26 -","- C84 H81 Er2 N5 O26 -","- C336 H324 Er8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0612","0.0423","","","0.093","0.1022","","","","","","1.045","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219700","19.08923","0.00019","14.38724","0.00017","30.5462","0.0004","90","","90","","90","","8389.25","0.17","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 N5 O26 Yb2 -","- C84 H74 N5 O26 Yb2 -","- C336 H296 N20 O104 Yb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0478","0.0408","","","0.094","0.0981","","","","","","1.043","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219701","7.4117","0.0004","12.1658","0.0006","14.2115","0.0007","85.918","0.003","77.087","0.003","77.944","0.003","1221.08","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O8 -","- C27 H25 N3 O8 -","- C54 H50 N6 O16 -","2","1","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.0693","0.0454","","","0.1023","0.1167","","","","","","1.024","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219702","41.1895","0.0011","20.6334","0.0004","27.0979","0.0008","90","","129.772","0.003","90","","17700.7","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H102 Cl6 Cu3 N18 O48 -","- C120 H102 Cl6 Cu3 N18 O48 -","- C480 H408 Cl24 Cu12 N72 O192 -","4","0.5","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.1775","0.0942","","","0.2682","0.2965","","","","","","0.951","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219703","20.6958","0.0005","27.2441","0.0009","31.2425","0.0007","90","","90","","90","","17615.7","0.8","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C120 H102 Cu3 N18 O24 -","- C118 H102 Cu3 N17 O24 -","- C472 H408 Cu12 N68 O96 -","4","0.25","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.258","0.0864","","","0.2338","0.272","","","","","","0.851","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219704","20.9882","0.0003","43.6525","0.0006","24.5435","0.0003","90","","111.671","0.001","90","","20897.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Co28(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(SO4)Cl10(OH)4(CH3OH)4(H2O)6]","","","- C283 H348 Cl10 Co28 N48 O49 S41 -","- C276 H292 Cl10 Co28 N48 O42 S41 -","- C552 H584 Cl20 Co56 N96 O84 S82 -","2","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1156","0.0823","","","0.2396","0.26","","","","","","1.074","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7219705","37.682","0.003","45.19","0.003","24.565","0.0017","90","","90","","90","","41830","5","192","2","192","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co27(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(CO3)0.25(SO3)0.75Cl10(OH)2(CH3OH)2(H2O)4]","","","- C284.25 H322 Cl34 Co27 N48 O37 S40.75 -","- C274.25 H286 Cl10 Co27 N48 O35 S40.75 -","- C1097 H1144 Cl40 Co108 N192 O140 S163 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1091","0.0946","","","0.2606","0.2744","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219706","37.033","0.007","45.29","0.009","24.166","0.005","90","","90","","90","","40532","14","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co28(C40H44S4O4)6(C2N3H2)16(CO3)Cl11(OH)3(CH3OH)2(H2O)6]","","","- C283 H351 Cl11 Co28 N48 O46 S24 -","- C275 H302 Cl11 Co28 N48 O38 S24 -","- C1100 H1208 Cl44 Co112 N192 O152 S96 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.0998","0.0654","","","0.1749","0.1919","","","","","","1.032","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219707","23.34","0.003","23.34","0.003","55.409","0.011","90","","90","","120","","26140","7","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","[Ni18Na6Cl6(C40H44S4O4)6(C2N3HS)6(H2O)6]","","","- C258 H294 Cl18 N18 Na6 Ni18 O32 S30 -","- C252 H270 Cl6 N18 Na6 Ni18 O30 S30 -","- C756 H810 Cl18 N54 Na18 Ni54 O90 S90 -","3","0.166667","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1279","0.1047","","","0.2798","0.3015","","","","","","1.181","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219713","17.9446","0.0005","11.1704","0.0003","27.228","0.0008","90","","90","","90","","5457.8","0.3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","a14269","Compound 1","","- C51 H47 Mn2 N9 O11 S4 -","- C51 H47 Mn2 N9 O11 S4 -","- C204 H188 Mn8 N36 O44 S16 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0331","0.0272","","","0.0646","0.0682","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219714","11.8071","0.0015","29.765","0.004","13.1818","0.0016","90","","110.456","0.002","90","","4340.5","1","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","ch14263","Compound 2","","- C150 H162 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0848","0.0576","","","0.149","0.176","","","","","","1.064","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219715","12.1946","0.0007","12.5819","0.0009","14.6838","0.0009","72.43","0.004","69.157","0.004","62.887","0.004","1847.5","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","ch14268","Compound 3","","- C72 H44 Mn3 N12 O17 S8 -","- C72 H42 Mn3 N12 O17 S8 -","- C72 H42 Mn3 N12 O17 S8 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.1123","0.0563","","","0.1435","0.1966","","","","","","1.026","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219716","13.498","0.014","15.22","0.016","20.51","0.02","90.775","0.013","97.172","0.018","111.158","0.013","3891","7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","a15483","Compound 4","","- C114 H162 Mn6 N26 O52 S12 -","- C84 H72 Mn6 N16 O32 S12 -","- C84 H72 Mn6 N16 O32 S12 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.2078","0.088","","","0.1794","0.1978","","","","","","0.912","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219717","22.739","0.005","16.038","0.003","9.7046","0.0019","90","","94","0.03","90","","3530.5","1.2","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","i14732","Compound 5","","- C28 H34 Mn2 N4 O15 S4 -","- C27.98 H29.94 Mn2 N4 O14.98 S4 -","- C111.92 H119.76 Mn8 N16 O59.92 S16 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0503","0.0401","","","0.093","0.099","","","","","","1.03","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219718","9.0044","0.0011","6.6957","0.0008","17.835","0.002","90","","90","","90","","1075.3","0.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[(mbtt)ICl]","[(N-methylbenzothiazole-2-thione)ICl]","","- C8 H7 Cl I N S2 -","- C8 H7 Cl I N S2 -","- C32 H28 Cl4 I4 N4 S8 -","4","0.5","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","0.71073","MoKα","","0.0195","0.0163","","","0.0364","0.0372","","","","","","1.093","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219719","12.4376","0.0002","21.0096","0.0004","4.22389","0.00008","90","","90","","90","","1103.74","0.03","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","[(mbtt)IBr]","[(N-methylbenzothiazole-2-thione)IBr]","","- C8 H7 Br I N S2 -","- C8 H7 Br I N S2 -","- C32 H28 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0326","0.0314","","","0.0713","0.0721","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219720","4.02223","0.00007","9.29376","0.00017","25.296","0.0005","90","","90","","90","","945.61","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)ICl]","[(2(3)H-benzothiazole-thione)ICl]","","- C7 H5 Cl I N S2 -","- C7 H5 Cl I N S2 -","- C28 H20 Cl4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0242","0.0239","","","0.0602","0.0605","","","","","","1.069","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219721","4.0618","0.00009","9.44353","0.00018","25.4237","0.0004","90","","90","","90","","975.2","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)IBr]","[(2(3)H-benzothiazole-thione)IBr]","","- C7 H5 Br I N S2 -","- C7 H5 Br I N S2 -","- C28 H20 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54178","CuKα","","0.0152","0.0149","","","0.0336","0.0337","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219727","10.1894","0.0013","10.3988","0.0013","21.838","0.002","92.912","0.009","103.316","0.01","111.412","0.012","2072.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N4 O11 Zn -","- C48 H36 N4 O11 Zn -","- C96 H72 N8 O22 Zn2 -","2","1","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal–dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.147","0.0647","","","0.0746","0.1058","","","","","","0.932","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219728","9.9601","0.0005","32.5682","0.0013","12.23","0.0005","90","","107.435","0.002","90","","3784.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H66 Co3 N6 O24 -","- C86 H66 Co3 N6 O24 -","- C172 H132 Co6 N12 O48 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0633","0.0414","","","0.0831","0.0933","","","","","","1.048","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219729","12.3741","0.0006","11.3562","0.0005","13.6838","0.0008","90","","107.309","0.002","90","","1835.81","0.16","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 Co N2 O14 -","- C38 H34 Co N2 O14 -","- C76 H68 Co2 N4 O28 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0639","0.0437","","","0.0951","0.1084","","","","","","1.029","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219730","5.4081","0.0002","15.5202","0.0008","13.3407","0.0006","90","","100.649","0.002","90","","1100.46","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,8-bis(3-methylimidazolium-1-yl)","1,8-bis(3-methylimidazolium-1-yl) octane tetrafluorborate","","- C16 H28 B2 F8 N4 -","- C16 H28 B2 F8 N4 -","- C32 H56 B4 F16 N8 -","2","0.5","","Frizzo, C. P.; Bender, C. R.; Tier, A. Z.; Gindri, I. M.; Salbego, P. R. S.; Meyer, A. R.; Martins, M. A. P.","Energetic and topological insights into the supramolecular structure of dicationic ionic liquids","CrystEngComm","2015","17","15","2996","","10.1039/C5CE00073D","","","0.71073","MoKα","","0.0974","0.0686","","","0.2104","0.2399","","","","","","1.069","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219754","17.3964","0.0014","11.7965","0.001","6.9851","0.0005","90","","90","","90","","1433.5","0.2","298","2","298","2","","","","","","","","5","P b c 21","P 2c -2b","29","Piroxicam: Form Alpha1","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Upadhyay, Pratik P.; Bond, Andrew D.","Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam","CrystEngComm","2015","17","28","5266","","10.1039/C5CE00050E","","","1.54178","CuKα","","0.0812","0.0545","","","0.1097","0.1213","","","","","","1.117","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219755","17.577","0.003","11.745","0.002","6.8516","0.0014","90","","98.07","0.01","90","","1400.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Piroxicam: Form Alpha2","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Upadhyay, Pratik P.; Bond, Andrew D.","Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam","CrystEngComm","2015","17","28","5266","","10.1039/C5CE00050E","","","1.54178","CuKα","","0.1357","0.1004","","","0.2381","0.2586","","","","","","1.078","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219769","10.3992","0.0009","21.9601","0.0018","10.45","0.0009","90","","91.022","0.002","90","","2386.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cd F6 N8 O2 Si -","- C18 H24 Cd F6 N8 O2 Si -","- C72 H96 Cd4 F24 N32 O8 Si4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.045","0.0274","","","0.0641","0.0746","","","","","","1.068","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219770","10.9995","0.0012","8.8942","0.001","11.9732","0.0014","90","","108.727","0.002","90","","1109.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br2 Cu N8 O2 -","- C18 H20 Br2 Cu N8 O2 -","- C36 H40 Br4 Cu2 N16 O4 -","2","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0489","0.0426","","","0.0918","0.0943","","","","","","1.075","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219771","10.4169","0.0009","21.292","0.002","10.4629","0.0009","90","","90.216","0.002","90","","2320.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cu F6 N8 O2 Si -","- C18 H24 Cu F6 N8 O2 Si -","- C72 H96 Cu4 F24 N32 O8 Si4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0912","0.0829","","","0.1865","0.1907","","","","","","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219772","8.3592","0.0007","8.5498","0.0007","11.5516","0.0009","111.219","0.002","106.893","0.001","92.67","0.002","725.67","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","1","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0698","0.0663","","","0.1771","0.1809","","","","","","1.072","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219773","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219774","8.0475","0.0005","11.7191","0.0007","12.4796","0.0008","90","","93.93","0.001","90","","1174.18","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 Fe N8 O3 -","- C4 H10 Cl2 Fe N8 O3 -","- C16 H40 Cl8 Fe4 N32 O12 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0233","0.0211","","","0.0473","0.0485","","","","","","1.083","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219775","6.512","0.001","6.901","0.001","9.328","0.002","95.448","0.01","108.706","0.008","108.09","0.008","368.51","0.12","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Cu2 O14 -","- C10 H14 Cu2 O14 -","- C10 H14 Cu2 O14 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.027","0.026","","","0.0688","0.07","","","","","","1.092","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219776","12.1518","0.0008","18.1413","0.0011","9.5816","0.0006","90","","113.503","0.002","90","","1937","0.2","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Cu2 O18 -","- C10 H22 Cu2 O18 -","- C40 H88 Cu8 O72 -","4","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0266","0.0235","","","0.0593","0.0608","","","","","","1.084","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219777","6.7846","0.0004","10.9535","0.0006","10.6835","0.0006","90","","91.81","0.002","90","","793.55","0.08","160","2","160","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H16 Cu O14 -","- C10 H16 Cu O14 -","- C20 H32 Cu2 O28 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0199","0.0191","","","0.0484","0.0488","","","","","","1.058","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219778","7.7391","0.0015","10.6004","0.0019","10.6159","0.0019","112.867","0.01","90.411","0.013","104.192","0.01","772.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cu K2 O12 -","- C10 H8 Cu K2 O12 -","- C20 H16 Cu2 K4 O24 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.036","0.0285","","","0.0789","0.0837","","","","","","1.062","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219779","6.894","0.0005","16.3377","0.0011","12.9381","0.0009","90","","99.666","0.002","90","","1436.56","0.17","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cu Na2 O12 -","- C10 H10 Cu Na2 O12 -","- C40 H40 Cu4 Na8 O48 -","4","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0208","0.0205","","","0.0564","0.0565","","","","","","1.157","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219780","11.3114","0.001","11.5464","0.001","11.7074","0.0011","80.13","0.002","66.441","0.002","71.052","0.002","1324.1","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 Cu2 N4 O18 -","- C48 H80 Cu2 N4 O18 -","- C48 H80 Cu2 N4 O18 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.1086","0.0735","","","0.1753","0.1927","","","","","","0.984","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219781","11.5053","0.0011","11.5543","0.0011","12.016","0.0011","78.671","0.002","64.251","0.002","71.747","0.002","1362.9","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 Cu2 N4 O20 -","- C48 H84 Cu2 N4 O20 -","- C48 H84 Cu2 N4 O20 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0588","0.052","","","0.1342","0.1368","","","","","","1.055","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219782","8.2343","0.0007","19.5788","0.0016","10.9336","0.0009","90","","100.371","0.002","90","","1733.9","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Cu3 N12 O18 -","- C20 H46 Cu3 N12 O18 -","- C40 H92 Cu6 N24 O36 -","2","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0651","0.0451","","","0.0904","0.0981","","","","","","1.094","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219783","8.9464","0.0009","11.1622","0.0011","17.478","0.0017","82.36","0.002","81.293","0.002","82.365","0.002","1698.6","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cu2 N4 O14 -","- C30 H34 Cu2 N4 O14 -","- C60 H68 Cu4 N8 O28 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.1394","0.0638","","","0.121","0.1489","","","","","","1.081","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219784","8.798","0.0003","10.648","0.0004","19.147","0.0008","94.84","0.003","90.453","0.003","110.355","0.004","1674.38","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 Cu2 N4 O11 -","- C33 H34 Cu2 N4 O11 -","- C66 H68 Cu4 N8 O22 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.075","0.0451","","","0.0963","0.1039","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219785","31.07","0.005","31.07","0.005","31.862","0.005","90","0.005","90","0.005","120","0.005","26637","7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H30 Cd Cl2 N12 O8 -","- C36 H30 Cd Cl2 N12 O8 -","- C648 H540 Cd18 Cl36 N216 O144 -","18","0.5","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71069","MoKα","","0.0664","0.0622","","","0.1793","0.183","","","","","","1.049","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219786","18.938","0.008","16.008","0.007","15.549","0.011","90","","123.948","0.006","90","","3910","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H32 Cd Cl2 N8 O11 -","- C28 H26 Cd Cl2 N8 O11 -","- C112 H104 Cd4 Cl8 N32 O44 -","4","1","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71073","MoKα","","0.0833","0.0771","","","0.2159","0.231","","","","","","0.933","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219787","4.5622","0.0006","9.994","0.0012","11.5383","0.0012","90","","90.826","0.006","90","","526.03","0.11","100","","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0274","0.0268","","","0.0717","0.0722","","","","","","1.078","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219788","13.5286","0.0009","3.7803","0.0003","21.0471","0.0012","90","","90","","90","","1076.39","0.13","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0413","0.0377","","","0.098","0.1006","","","","","","1.073","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219789","12.799","0.0019","6.5794","0.0008","25.265","0.004","90","","95.749","0.008","90","","2116.9","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0384","0.0319","","","0.0847","0.0887","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219790","5.9148","0.0003","7.4926","0.0004","23.9195","0.0013","90","","93.722","0.002","90","","1057.81","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0299","0.0265","","","0.0744","0.078","","","","","","1.055","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219791","25.7588","0.0017","3.7207","0.0003","22.6104","0.0016","90","","90.424","0.004","90","","2166.9","0.3","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0813","0.0698","","","0.2005","0.2283","","","","","","1.136","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219792","12.496","0.005","3.71","0.0014","22.745","0.009","90","","93.123","0.005","90","","1052.9","0.7","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.081","0.0545","","","0.1247","0.1396","","","","","","1.016","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219793","25.983","0.002","7.316","0.0006","24.834","0.002","90","","113.707","0.005","90","","4322.4","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C208 H112 F64 N16 -","16","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0794","0.0435","","","0.0961","0.111","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219794","7.2368","0.0005","6.6503","0.0005","22.2218","0.0014","90","","97.167","0.003","90","","1061.11","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0288","0.0272","","","0.0733","0.0748","","","","","","1.057","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219795","5.4757","0.0011","7.7423","0.0015","24.406","0.005","90","","90","","90","","1034.7","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0301","0.0272","","","0.0779","0.0945","","","","","","1.184","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219796","27.6959","0.0014","3.6849","0.0001","21.5993","0.001","90","","90","","90","","2204.35","0.16","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0562","0.0418","","","0.0953","0.1039","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219797","6.8244","0.0006","7.6412","0.0007","10.8203","0.001","79.604","0.006","83.948","0.006","69.737","0.006","520.07","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0449","0.0392","","","0.1149","0.1299","","","","","","1.118","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219798","11.0553","0.0015","3.6976","0.0004","13.0135","0.0014","90","","98.716","0.004","90","","525.82","0.11","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0906","0.0716","","","0.1691","0.1845","","","","","","1.058","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219799","6.8223","0.0008","7.5505","0.0008","11.2975","0.0014","80.541","0.007","86.409","0.007","66.173","0.007","525.11","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0477","0.0342","","","0.0831","0.0909","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219800","9.756","0.003","4.6737","0.0015","11.257","0.004","90","","99.132","0.017","90","","506.8","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0408","0.0368","","","0.0889","0.0911","","","","","","1.076","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219801","16.497","0.002","3.7422","0.0004","17.009","0.002","90","","94.425","0.008","90","","1046.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0449","0.0336","","","0.0819","0.0887","","","","","","1.021","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219802","6.7242","0.0006","8.3077","0.0007","10.3309","0.0009","74.956","0.004","73.491","0.004","74.437","0.004","522.43","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0393","0.0329","","","0.0913","0.0961","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219803","3.8029","0.0004","11.4621","0.0014","12.2186","0.0015","90","","94.778","0.006","90","","530.75","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.025","0.0244","","","0.0669","0.0674","","","","","","1.068","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219804","3.727","0.0007","11.656","0.002","25.035","0.005","90","","90","","90","","1087.6","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0758","0.0514","","","0.1245","0.1375","","","","","","0.999","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219805","3.7169","0.0006","11.5058","0.0019","12.53","0.002","97.022","0.011","93.644","0.011","91.313","0.012","530.51","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","3,4-difluoro-N-(2,4-difluorobenzylidene)aniline","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0671","0.0458","","","0.1103","0.1223","","","","","","1.043","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219806","3.6872","0.0003","12.9017","0.0008","22.262","0.002","90","","90","","90","","1059.03","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0481","0.0368","","","0.0746","0.0794","","","","","","1.023","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219807","6.8363","0.0004","13.8701","0.0008","11.6974","0.0006","90","","105.915","0.003","90","","1066.64","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0492","0.0373","","","0.0909","0.0975","","","","","","1.064","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219808","7.3598","0.001","12.5972","0.0014","12.669","0.0016","70.079","0.007","75.851","0.008","78.418","0.007","1061.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0763","0.0417","","","0.094","0.1096","","","","","","1.01","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219809","6.6472","0.0004","15.892","0.0009","10.0448","0.0005","90","","92.712","0.003","90","","1059.92","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0387","0.0322","","","0.0796","0.0835","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219810","13.7505","0.0004","3.7574","0.0001","26.3533","0.0007","90","","130.149","0.002","90","","1040.75","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0408","0.0332","","","0.0872","0.0957","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219811","3.7226","0.0006","13.105","0.002","21.768","0.004","90","","90","","90","","1061.9","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0507","0.0373","","","0.0654","0.0711","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219812","7.004","0.003","30.75","0.013","10.041","0.004","90","","99","0.005","90","","2135.9","1.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0397","0.0318","","","0.0671","0.0704","","","","","","1.023","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219813","10.0995","0.0003","9.0827","0.0003","18.1054","0.0004","90","","141.529","0.001","90","","1033.23","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0413","0.0333","","","0.0864","0.0918","","","","","","1.057","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219814","6.7897","0.001","6.8031","0.0012","12.0624","0.0018","84.037","0.01","85.232","0.01","72.402","0.01","527.44","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.1013","0.0807","","","0.2227","0.2452","","","","","","1.106","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219815","7.345","0.002","21.755","0.006","13.731","0.004","90","","100.313","0.003","90","","2158.6","1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0575","0.037","","","0.0788","0.0878","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219816","7.092","0.002","30.276","0.01","10.124","0.003","90","","99.046","0.004","90","","2146.8","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C–H⋯F–C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0672","0.0436","","","0.103","0.1149","","","","","","1.019","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219817","9.0642","0.001","19.594","0.002","12.6956","0.0015","90","","104.058","0.006","90","","2187.3","0.4","92","2","92","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Cl N3 O10.5 Zn -","- C16 H20 Cl N3 O10.5 Zn -","- C64 H80 Cl4 N12 O42 Zn4 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0715","0.0592","","","0.1404","0.1449","","","","","","1.179","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219818","17.5644","0.0003","34.1856","0.0004","13.3561","0.0002","90","","90","","90","","8019.7","0.2","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H91 Cl4 N12 O29.5 Zn4 -","- C68 H80 Cl4 N12 O29.5 Zn4 -","- C272 H320 Cl16 N48 O118 Zn16 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0646","0.0626","","","0.1652","0.1672","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219819","15.7557","0.001","15.1427","0.0009","16.838","0.001","90","","90","","90","","4017.3","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl N3 O7 Zn -","- C18 H24 Cl N3 O7 Zn -","- C144 H192 Cl8 N24 O56 Zn8 -","8","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0445","0.0309","","","0.0807","0.0877","","","","","","1.031","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219820","10.3751","0.0003","8.315","0.0003","23.5131","0.0011","90","","102.275","0.004","90","","1982.08","0.13","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Cl Cu N3 O7 -","- C17 H22 Cl Cu N3 O7 -","- C68 H88 Cl4 Cu4 N12 O28 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0685","0.0562","","","0.1456","0.1534","","","","","","1.072","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219821","14.1032","0.0002","17.771","0.0002","15.8877","0.0002","90","","90","","90","","3981.9","0.09","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H48 Cl2 Cu2 N6 O16 -","- C34 H44 Cl2 Cu2 N6 O16 -","- C136 H176 Cl8 Cu8 N24 O64 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0576","0.0565","","","0.1558","0.1573","","","","","","1.026","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219822","13.0446","0.0003","8.8181","0.0002","19.3686","0.0005","90","","90","","90","","2227.94","0.09","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H28 Cl Cu N3 O9 -","- C18 H24 Cl Cu N3 O9 -","- C72 H96 Cl4 Cu4 N12 O36 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0514","0.0468","","","0.1173","0.1217","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219823","16.939","0.0002","16.939","0.0002","33.5981","0.0006","90","","90","","90","","9640.3","0.2","100","1","100","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H28 Cl N3 O7 Zn -","- C20 H28 Cl N3 O7 Zn -","- C320 H448 Cl16 N48 O112 Zn16 -","16","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0933","0.0863","","","0.2584","0.2686","","","","","","1.069","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219824","9.421","0.0017","22.221","0.005","29.851","0.007","110.023","0.013","90.136","0.013","97.835","0.012","5809","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H152 Cl4 N12 O34 Zn4 -","- C92 H128 Cl2 N12 O20 Zn4 -","- C184 H256 Cl4 N24 O40 Zn8 -","2","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.2524","0.1558","","","0.3696","0.4216","","","","","","1.016","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219825","36.788","0.007","8.669","0.0017","33.481","0.007","90","","102.29","0.03","90","","10433","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H142 Cl4 N12 O27 Zn4 -","- C96 H140 Cl4 N12 O27 Zn4 -","- C384 H560 Cl16 N48 O108 Zn16 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.7108","Synchrotron","","0.0465","0.0452","","","0.1155","0.1164","","","","","","1.04","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219826","20.41","0.004","5.8212","0.001","18.903","0.004","90","","95.216","0.007","90","","2236.6","0.8","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H26 O8 -","- C23 H26 O8 -","- C92 H104 O32 -","4","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0535","0.0344","","","0.0649","0.0853","","","","","","1.1","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219827","4.8576","0.0006","9.2069","0.0012","14.7648","0.0019","90","","95.696","0.008","90","","657.07","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C26 H36 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0578","0.055","","","0.1834","0.1861","","","","","","1.367","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219828","9.292","0.005","7.698","0.003","12.322","0.005","90","","111.34","0.03","90","","821","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C32 H44 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0568","0.048","","","0.1403","0.147","","","","","","1.059","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219829","16.3482","0.001","16.3482","0.001","19.5011","0.001","90","","90","","120","","4513.7","0.5","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C52 H56 Cl4 Fe3 N11 O4 -","- C52 H56 Cl4 Fe3 N11 O4 -","- C156 H168 Cl12 Fe9 N33 O12 -","3","0.5","","Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea","The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations","CrystEngComm","2015","17","16","3082","","10.1039/C5CE00261C","","","0.71073","MoKα","","0.0901","0.0563","","","0.1353","0.1448","","","","","","0.915","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219830","12.47","0.003","15.441","0.003","15.443","0.006","90","","114.56","0.02","90","","2704.5","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Cl4 Fe3 N11 O6 -","- C50 H54 Cl4 Fe3 N11 O6 -","- C100 H108 Cl8 Fe6 N22 O12 -","2","0.5","","Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea","The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations","CrystEngComm","2015","17","16","3082","","10.1039/C5CE00261C","","","0.71073","MoKα","","0.1337","0.072","","","0.1918","0.2455","","","","","","0.863","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219831","8.3643","0.0017","9.794","0.002","11.596","0.002","79.79","0.03","71.08","0.03","87.2","0.03","884.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 B F2 N2 O2 -","- C20 H19 B F2 N2 O2 -","- C40 H38 B2 F4 N4 O4 -","2","1","","Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia","The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs.","Physical chemistry chemical physics : PCCP","2015","17","15","9716","9729","10.1039/c5cp00732a","","","0.71073","MoKα","","0.1126","0.0652","","","0.189","0.2612","","","","","","1.195","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219832","7.747","0.0019","10.414","0.003","14.007","0.003","91.746","0.004","105.965","0.004","91.149","0.005","1085.5","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H17 B F2 I2 N2 O2 -","- C20 H17 B F2 I2 N2 O2 -","- C40 H34 B2 F4 I4 N4 O4 -","2","1","","Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia","The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs.","Physical chemistry chemical physics : PCCP","2015","17","15","9716","9729","10.1039/c5cp00732a","","","0.71073","MoKα","","0.0613","0.0552","","","0.1495","0.1557","","","","","","1.073","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219833","10.0744","0.0009","10.408","0.001","11.805","0.0011","69.844","0.002","85.884","0.002","68.191","0.002","1076.58","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H19 B F2 I2 N2 O2 -","- C21 H19 B F2 I2 N2 O2 -","- C42 H38 B2 F4 I4 N4 O4 -","2","1","","Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia","The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs.","Physical chemistry chemical physics : PCCP","2015","17","15","9716","9729","10.1039/c5cp00732a","","","0.71073","MoKα","","0.0276","0.0225","","","0.0513","0.0533","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219835","11.705","0.005","13.456","0.005","18.636","0.005","95.216","0.005","90.707","0.005","109.834","0.005","2746.7","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N16 O12 Zn2 -","- C56 H40 N16 O8 Zn2 -","- C112 H80 N32 O16 Zn4 -","2","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.1063","0.0552","","","0.1056","0.1171","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219836","17.697","0.005","24.072","0.005","8.217","0.005","90","0.005","92.118","0.005","90","0.005","3498","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33.25 H33.25 N9.75 O6.25 Zn -","- C28 H20 N8 O4 Zn -","- C112 H80 N32 O16 Zn4 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0613","0.0431","","","0.0964","0.1025","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219837","21.036","0.005","7.657","0.005","20.088","0.005","90","0.005","106.909","0.005","90","0.005","3096","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N8 O6 Zn -","- C34 H25 N8 O6 Zn -","- C136 H100 N32 O24 Zn4 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0683","0.0395","","","0.0841","0.102","","","","","","1.031","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219838","21.082","0.005","7.603","0.005","20.045","0.005","90","0.005","106.323","0.005","90","0.005","3083","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Co N8 O6 -","- C34 H25 Co N8 O6 -","- C136 H100 Co4 N32 O24 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0873","0.0447","","","0.0874","0.1115","","","","","","0.995","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219839","8.534","0.005","9.108","0.005","19.64","0.005","95.412","0.005","99.68","0.005","107.109","0.005","1421.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cd N10 O6 -","- C27 H25 Cd N10 O6 -","- C54 H50 Cd2 N20 O12 -","2","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.05","0.0398","","","0.1103","0.1253","","","","","","1.098","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219840","9.778","0.005","18.632","0.005","15.6","0.005","90","0.005","92.111","0.005","90","0.005","2840.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cd N8 O5 -","- C32 H24 Cd N8 O5 -","- C128 H96 Cd4 N32 O20 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0563","0.0339","","","0.0671","0.0737","","","","","","0.987","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219841","21.5392","0.0007","14.2336","0.0004","7.7362","0.0002","90","","93.957","0.001","90","","2366.11","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 Cd N O5 -","- C13 H7 Cd N O5 -","- C104 H56 Cd8 N8 O40 -","8","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0219","0.0202","","","0.0541","0.0557","","","","","","1.084","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219842","28.2519","0.0003","28.2519","0.0003","12.3144","0.0003","90","","90","","90","","9829","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H16 Cd3 N2 O12 -","- C26 H16 Cd3 N2 O12 -","- C416 H256 Cd48 N32 O192 -","16","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","1.54184","CuKα","","0.0519","0.0388","","","0.0878","0.0955","","","","","","1.048","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219843","21.9803","0.0008","17.2195","0.0007","9.2491","0.0003","90","","105.929","0.002","90","","3366.3","0.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Co2 N4 O13 -","- C36 H27 Co2 N4 O13 -","- C144 H108 Co8 N16 O52 -","4","0.5","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0559","0.0408","","","0.0965","0.1046","","","","","","1.029","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219844","14.2195","0.0014","11.2318","0.0008","14.6122","0.0014","90","","100.353","0.01","90","","2295.7","0.4","293.22","0.1","293.22","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.85 H2.62 N0.77 O0.92 Zn0.15 -","- C3.84615 H2.92308 N0.769231 O0.923077 Zn0.153846 -","- C100 H76 N20 O24 Zn4 -","26","6.5","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0549","0.0396","","","0.0977","0.1102","","","","","","1.045","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219845","13.9673","0.0005","11.3875","0.0002","14.9718","0.0004","90","","98.332","0.003","90","","2356.17","0.11","293.22","0.1","293.22","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.57 H2.71 Cd0.14 N0.71 O0.86 -","- C3.57143 H2.71429 Cd0.142857 N0.714286 O0.857143 -","- C100 H76 Cd4 N20 O24 -","28","7","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0534","0.0323","","","0.0734","0.0861","","","","","","1.044","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219846","7.8766","0.0002","19.455","0.0005","13.3737","0.0004","90","","90.361","0.002","90","","2049.34","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Co N3 O6 -","- C22 H16 Co N3 O6 -","- C88 H64 Co4 N12 O24 -","4","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0711","0.0499","","","0.1169","0.1286","","","","","","1.069","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219847","7.6214","0.0011","17.281","0.002","12.3199","0.0016","90","","96.176","0.007","90","","1613.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cd N2 O5 -","- C18 H11 Cd N2 O5 -","- C72 H44 Cd4 N8 O20 -","4","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0826","0.0607","","","0.1582","0.1748","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219848","9.664","0.0019","11.505","0.002","14.704","0.003","83.42","0.03","74.84","0.03","84.16","0.03","1563.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 N4 O11 U -","- C37 H24 N4 O11 U -","- C74 H48 N8 O22 U2 -","2","1","","Zhu, Liu-Zheng; Wang, Cong-Zhi; Mei, Lei; Wang, Lin; Liu, Yun-Hai; Zhu, Zhen-Tai; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration","CrystEngComm","2015","17","15","3031","","10.1039/C5CE00223K","","","0.71073","MoKα","","0.0423","0.0386","","","0.1024","0.1048","","","","","","0.916","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219849","14.1475","0.0007","14.2138","0.0007","14.2205","0.0008","71.475","0.005","63.479","0.005","86.375","0.004","2415.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H60 N8 O45 U6 -","- C99 H60 N8 O45 U6 -","- C99 H60 N8 O45 U6 -","1","0.5","","Zhu, Liu-Zheng; Wang, Cong-Zhi; Mei, Lei; Wang, Lin; Liu, Yun-Hai; Zhu, Zhen-Tai; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration","CrystEngComm","2015","17","15","3031","","10.1039/C5CE00223K","","","1.54178","CuKα","","0.0711","0.0572","","","0.1158","0.1211","","","","","","1.103","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219850","46.64","0.07","12.447","0.018","31.37","0.04","90","","131.263","0.012","90","","13689","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Cd3 N16 O24 -","- C52 H47 Cd3 N16 O16 -","- C416 H376 Cd24 N128 O128 -","8","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.1234","0.0898","","","0.2432","0.2685","","","","","","1.037","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219851","10.8281","0.0003","11.4808","0.0004","15.8705","0.0004","90","","109.351","0.001","90","","1861.49","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cd N4 O4 -","- C19 H20 Cd N4 O4 -","- C76 H80 Cd4 N16 O16 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0368","0.0263","","","0.0566","0.0597","","","","","","1.042","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219852","10.667","0.006","11.908","0.006","13.161","0.007","90","","109.602","0.006","90","","1574.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd N4 O4 -","- C16 H14 Cd N4 O4 -","- C64 H56 Cd4 N16 O16 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0456","0.0373","","","0.0849","0.0901","","","","","","1.062","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219853","8.63","0.02","10.32","0.02","13.12","0.03","94.84","0.02","107.4","0.02","110.62","0.02","1020","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 Cd N4 O5 -","- C19 H21 Cd N4 O5 -","- C38 H42 Cd2 N8 O10 -","2","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0945","0.0673","","","0.149","0.165","","","","","","1.036","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219854","16.991","0.008","15.726","0.007","9.212","0.009","90","","120.505","0.007","90","","2121","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C72 H80 Cd4 N16 O24 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.074","0.0473","","","0.1041","0.1167","","","","","","1.067","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219855","4.8452","0.0004","10.3656","0.001","17.3307","0.0017","90","","97.778","0.004","90","","862.4","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C36 H40 N8 O8 -","2","0.5","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π–π stacking interactions on the emission properties of cadmium metal–organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71073","MoKα","","0.1137","0.0546","","","0.1075","0.127","","","","","","1.005","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219856","40.33","0.09","4.629","0.013","20.38","0.05","90","","117.5","0.03","90","","3375","15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N4 O4 -","- C17 H18 N4 O4 -","- C136 H144 N32 O32 -","8","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π–π stacking interactions on the emission properties of cadmium metal–organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.1474","0.0772","","","0.1756","0.2322","","","","","","0.991","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219857","17.6812","0.0015","9.5252","0.0008","19.9837","0.0017","90","","98.363","0.002","90","","3329.8","0.5","100","2","100","2","","","101.3","","","","synthesis","3","P 1 21/n 1","-P 2yn","14","form IIIp","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.0836","0.0529","","","0.1182","0.1363","","","","","","1.035","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219858","24.851","0.003","9.4124","0.0013","29.215","0.004","90","","103.211","0.002","90","","6652.8","1.5","100","2","100","2","","","101.3","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","p-iso-propylcalix[4]arene","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C320 H384 O32 -","8","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.0693","0.0601","","","0.1531","0.16","","","","","","1.021","","","","has coordinates,has disorder","301864","2025-08-22","15:14:39",""
"7219859","9.4324","0.0011","15.3488","0.0018","23.578","0.003","90","","98.751","0.002","90","","3373.8","0.7","100","2","100","2","","","101.3","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","Form Ip","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.1424","0.0658","","","0.1386","0.1775","","","","","","0.951","","","","has coordinates","301864","2025-08-22","15:14:39",""
"7219865","11.5446","0.0012","14.7733","0.0016","15.4797","0.0016","66.933","0.002","69.503","0.002","89.899","0.002","2247","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H47 Cu7 Mo12 N40 O48 P -","- C48 H32 Cu7 Mo12 N40 O48 P -","- C48 H32 Cu7 Mo12 N40 O48 P -","1","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0949","0.0602","","","0.1404","0.1598","","","","","","1.087","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219866","12.1224","0.0015","13.4764","0.0015","14.2227","0.0017","105.086","0.002","111.688","0.002","105.602","0.002","1904.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 Cu5 Mo12 N30 O48 P -","- C36 H24 Cu5 Mo12 N30 O48 P -","- C36 H24 Cu5 Mo12 N30 O48 P -","1","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0869","0.0491","","","0.1167","0.1332","","","","","","1.063","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219867","10.5428","0.0006","23.1328","0.0013","12.2375","0.0007","90","","101.333","0.001","90","","2926.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Ag6 Mo12 N20 O40 Si -","- C24 H16 Ag6 Mo12 N20 O40 Si -","- C48 H32 Ag12 Mo24 N40 O80 Si2 -","2","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0457","0.0439","","","0.0919","0.093","","","","","","1.005","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219868","26.3119","0.0019","10.3171","0.0007","23.8781","0.0017","90","","106.323","0.001","90","","6220.7","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Ag5 Mo12 N20 O45 P -","- C24 H16 Ag5 Mo12 N20 O40 P -","- C96 H64 Ag20 Mo48 N80 O160 P4 -","4","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0992","0.0847","","","0.2413","0.254","","","","","","1.038","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219869","6.6762","0.0009","7.9864","0.0011","13.745","0.0019","78.535","0.002","84.941","0.002","76.907","0.002","698.86","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Ca2 Co N6 O24 -","- C12 H24 Ca2 Co N6 O24 -","- C12 H24 Ca2 Co N6 O24 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0787","0.0563","","","0.1378","0.1508","","","","","","1","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219870","6.5863","0.0009","7.6421","0.0011","13.809","0.002","96.335","0.002","94.647","0.002","97.679","0.002","681.37","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 Co N4 O18 Sr2 -","- C12 H24 Cl2 Co N4 O18 Sr2 -","- C12 H24 Cl2 Co N4 O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0585","0.0439","","","0.0852","0.0911","","","","","","1.082","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219871","6.5961","0.0005","7.7866","0.0006","13.4353","0.0011","83.405","0.001","80.961","0.001","81.545","0.001","671.1","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N4 O18 Sr2 -","- C12 H24 Cl2 Cu N4 O18 Sr2 -","- C12 H24 Cl2 Cu N4 O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0341","0.0287","","","0.0701","0.0727","","","","","","1.075","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219872","6.6953","0.0004","7.6428","0.0005","14.0935","0.0008","96.583","0.001","95.129","0.001","96.171","0.001","708.48","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Ba2 Cl2 Co N4 O18 -","- C12 H24 Ba2 Cl2 Co N4 O18 -","- C12 H24 Ba2 Cl2 Co N4 O18 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0197","0.019","","","0.0468","0.0472","","","","","","1.004","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219873","6.6818","0.0009","7.6135","0.001","14.034","0.002","96.685","0.002","95.671","0.002","95.868","0.002","700.92","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Ba2 Cl2 N4 Ni O18 -","- C12 H24 Ba2 Cl2 N4 Ni O18 -","- C12 H24 Ba2 Cl2 N4 Ni O18 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0353","0.0318","","","0.0621","0.0642","","","","","","1.057","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219874","18.685","0.008","11.722","0.005","9.244","0.004","90","","91.771","0.006","90","","2023.7","1.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Ba2 Cl Cu N4 O11 -","- C12 H10 Ba2 Cl Cu N4 O11 -","- C48 H40 Ba8 Cl4 Cu4 N16 O44 -","4","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0701","0.0684","","","0.2401","0.2451","","","","","","1.068","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219875","7.7073","0.0007","8.5422","0.0008","10.0834","0.0009","94.55","0.001","105.335","0.001","95.427","0.001","633.58","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Ca2 Cu N6 O22 -","- C12 H20 Ca2 Cu N6 O22 -","- C12 H20 Ca2 Cu N6 O22 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0401","0.0356","","","0.0863","0.0895","","","","","","1.019","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219876","14.3621","0.0013","6.98","0.0006","15.7788","0.0015","90","","114.121","0.001","90","","1443.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cu N6 O24 Sr2 -","- C12 H24 Cu N6 O24 Sr2 -","- C24 H48 Cu2 N12 O48 Sr4 -","2","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0408","0.0299","","","0.0761","0.0819","","","","","","1.011","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219877","6.6503","0.0009","7.9533","0.0011","13.656","0.002","78.411","0.002","84.66","0.002","77.08","0.002","688.78","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Ca2 N6 Ni O24 -","- C12 H24 Ca2 N6 Ni O24 -","- C12 H24 Ca2 N6 Ni O24 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0429","0.0373","","","0.0971","0.1015","","","","","","1.003","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219878","6.6133","0.0015","7.6512","0.0017","13.778","0.003","96.312","0.004","95.186","0.003","97.792","0.004","682.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 N4 Ni O18 Sr2 -","- C12 H24 Cl2 N4 Ni O18 Sr2 -","- C12 H24 Cl2 N4 Ni O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0473","0.0365","","","0.082","0.0882","","","","","","1.008","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219879","18.895","0.005","5.769","0.003","26.82","0.006","90","","90.989","0.005","90","","2923.1","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Ferrocenyl-2-(phenyl)thioethanone","","- C18 H16 Fe O S -","- C18 H16 Fe O S -","- C144 H128 Fe8 O8 S8 -","8","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0509","0.0337","","","0.0718","0.0779","","","","","","1.032","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219880","10.57","0.005","7.329","0.004","45.553","0.008","90","","90","","90","","3529","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Ferrocenyl-2-[(naphthalen-2-yl)thio]ethanone","","- C22 H18 Fe O S -","- C22 H18 Fe O S -","- C176 H144 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71069","MoKα","","0.135","0.0674","","","0.126","0.1538","","","","","","0.975","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219881","5.706","0.003","11.339","0.005","13.634","0.005","112.724","0.005","94.083","0.008","94.391","0.01","806.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-Ferrocenyl-2-[4-(methoxyphenyl)thio]ethanone","","- C19 H18 Fe O2 S -","- C19 H18 Fe O2 S -","- C38 H36 Fe2 O4 S2 -","2","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71069","MoKα","","0.0336","0.0281","","","0.0679","0.0708","","","","","","1.029","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219882","24.794","0.005","5.846","0.003","21.572","0.004","90","","90","","90","","3126.8","1.8","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-Ferrocenyl-2-[4-(chlorophenyl)thio]ethanone","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C144 H120 Cl8 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0891","0.0443","","","0.0561","0.0637","","","","","","0.756","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219883","7.6287","0.0018","23.333","0.006","9.21","0.002","90","","108.146","0.009","90","","1557.9","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Ferrocenyl-2-[3-(chlorophenyl)thio]ethanone","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C72 H60 Cl4 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.1293","0.0505","","","0.0984","0.1241","","","","","","0.994","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219884","7.119","0.003","23.62","0.0008","9.661","0.002","90","","108.071","0.007","90","","1544.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Ferrocenyl-2-[2-(chlorophenyl)thio]ethanone (VII)","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C72 H60 Cl4 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0841","0.0513","","","0.109","0.1203","","","","","","1.047","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219885","6.0532","0.0019","34.587","0.008","7.827","0.002","90","","101.767","0.009","90","","1604.2","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Fe N O3 S -","- C18 H15 Fe N O3 S -","- C72 H60 Fe4 N4 O12 S4 -","4","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.1063","0.0514","","","0.076","0.09","","","","","","0.956","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219894","8.0072","0.0005","11.8432","0.0009","13.3307","0.0009","96.449","0.006","106.074","0.006","97.869","0.006","1188.22","0.15","120","","120","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C22 H30 N4 O7 S -","- C22 H30 N4 O7 S -","- C44 H60 N8 O14 S2 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.156","0.0732","","","0.1353","0.1589","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219895","33.554","0.007","13.996","0.003","18.645","0.004","90","","100.54","0.03","90","","8608","3","293","2","293","2","","","","","","","chemical synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C336 H416 N64 O96 S16 -","16","2","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1291","0.0481","","","0.0749","0.0872","","","","","","0.841","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219896","7.937","0.0005","12.8236","0.001","13.4836","0.001","79.804","0.006","76.806","0.006","78.841","0.006","1298.15","0.17","150","","150","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C20 H26 Br N3 O6 -","- C20 H26 Br N3 O6 -","- C40 H52 Br2 N6 O12 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1452","0.1041","","","0.3058","0.3386","","","","","","1.161","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219897","15.9465","0.0006","18.9851","0.0004","17.161","0.0007","90","","111.552","0.004","90","","4832.2","0.3","293","2","293","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 Cl2 N6 O21 -","- C43 H64 Cl2 N6 O21 -","- C172 H256 Cl8 N24 O84 -","4","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.7107","MoKα","","0.0816","0.0665","","","0.1859","0.1971","","","","","","1.031","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219898","7.937","0.0005","12.824","0.001","13.485","0.001","79.8","0.006","76.802","0.006","78.839","0.006","1298.28","0.17","150","","150","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C20.5 H28 Br N3 O6.5 -","- C20.5 H28 Br1.0005 N3 O6.5 -","- C41 H56 Br2.001 N6 O13 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1581","0.1052","","","0.3065","0.3421","","","","","","1.105","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219899","13.7359","0.0008","13.0043","0.0008","7.8727","0.0004","90","","94.636","0.006","90","","1401.67","0.14","330","1","330","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H7 Bi I4 N2 -","- C4 H7 Bi I4 N2 -","- C16 H28 Bi4 I16 N8 -","4","0.5","","Gągor, A.; Węcławik, M.; Bondzior, B.; Jakubas, R.","Periodic and incommensurately modulated phases in a (2-methylimidazolium)tetraiodobismuthate(iii) thermochromic organic‒inorganic hybrid","CrystEngComm","2015","17","17","3286","","10.1039/C5CE00046G","","","0.71073","MoKα","","0.036","0.0261","","","0.0533","0.0551","","","","","","0.937","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219900","7.8955","0.0008","7.9685","0.001","12.611","0.002","84.587","0.014","88.678","0.014","76.076","0.01","766.68","0.18","200","1","200","1","","","","","","","","5","P 1","P 1","1","","","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C16 H44 Cl4 N8 O16 -","4","4","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.0574","0.0361","","","0.1054","0.1131","","","","","","1.013","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219901","8.0326","0.0008","8.0754","0.001","12.745","0.002","84.19","0.014","88.36","0.014","76.009","0.01","798.07","0.18","413","2","413","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C16 H44 Cl4 N8 O16 -","4","2","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.092","0.0494","","","0.14","0.1507","","","","","","0.895","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219902","13.047","0.008","9.7","0.003","8.348","0.005","90","","129.31","0.09","90","","817.4","1.3","426","1","426","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H44 Cl4 N8 O16 -","- C16 H44 Cl4 N8 O16 -","- C16 H44 Cl4 N8 O16 -","1","0.125","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.1015","0.0725","","","0.1977","0.2163","","","","","","0.961","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219903","10.2342","0.0015","8.024","0.0013","6.3898","0.0009","90","","127.882","0.007","90","","414.15","0.11","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- B5 H3 O11 Sr2 -","- B5 H3 O11 Sr2 -","- B10 H6 O22 Sr4 -","2","0.5","","Zhang, Fangyuan; Zhang, Fangfang; Qun, Jing; Pan, Shilie; Yang, Zhihua; Jia, Dianzeng","Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)·H2O.","Physical chemistry chemical physics : PCCP","2015","17","16","10489","10496","10.1039/c5cp00864f","","","0.71073","MoKα","","0.0183","0.0174","","","0.0387","0.039","","","","","","0.927","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219929","6.1459","0.0004","10.5542","0.0006","9.5004","0.0005","90","","93.777","0.002","90","","614.91","0.06","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl fluoromalonate","","- C5 H7 F O4 -","- C5 H7 F O4 -","- C20 H28 F4 O16 -","4","1","","Harsanyi, Antal; Sandford, Graham","Fluorine gas for life science syntheses: green metrics to assess selective direct fluorination for the synthesis of 2-fluoromalonate esters","Green Chem.","2015","17","5","3000","","10.1039/C5GC00402K","","x-ray","0.71073","MoKα","","0.0704","0.0568","","","0.1547","0.1716","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:40",""
"7219931","37.419","0.005","37.419","0.005","10.7471","0.0011","90","","90","","120","","13032","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1501","0.0562","","","0.1287","0.2029","","","","","","0.967","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219932","36.528","0.002","36.528","0.002","10.5054","0.001","90","","90","","120","","12139.3","1.5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H50 N4 O2 Sn -","- C62 H50 N4 O2 Sn -","- C558 H450 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1444","0.0606","","","0.1388","0.189","","","","","","0.893","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219933","37.361","0.005","37.361","0.005","10.403","0.002","90","","90","","120","","12576","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.2125","0.072","","","0.1568","0.2394","","","","","","0.927","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219934","12.9068","0.0005","23.7447","0.0009","38.817","0.0017","90","","96.451","0.001","90","","11820.8","0.8","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H100 Cu N12 O83 P2 Ti2 W22 -","- C48 H92 Cu N12 O80 P2 Ti2 W22 -","- C192 H368 Cu4 N48 O320 P8 Ti8 W88 -","4","1","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.0918","0.0526","","","0.1068","0.1213","","","","","","1.006","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219935","14.6474","0.0009","19.8814","0.0012","21.9641","0.0014","78.874","0.001","88.113","0.001","75.659","0.001","6079.7","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H79 Cu N12 O80.5 P2 Ti2 W22 -","- C58 H76 Cu N12 O80.5 P2 Ti2 W22 -","- C116 H152 Cu2 N24 O161 P4 Ti4 W44 -","2","1","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.1104","0.0645","","","0.1445","0.1882","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219936","15.9375","0.0009","16.0198","0.0009","23.1712","0.0014","90","","91.951","0.001","90","","5912.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H80 Cu4 N24 O40 P W12 -","- C96 H80 Cu4 N24 O40 P W12 -","- C192 H160 Cu8 N48 O80 P2 W24 -","2","0.5","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.1209","0.0481","","","0.0665","0.0831","","","","","","0.994","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219937","17.303","0.004","9.925","0.002","22.41","0.005","90","","90","","90","","3848.5","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H15 In N3 O9 -","- C16 H6 In O9 -","- C64 H24 In4 O36 -","4","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0848","0.07","","","0.2562","0.2692","","","","","","1.132","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219938","10.289","0.002","15.763","0.003","24.796","0.005","90","","112.65","0.03","90","","3711.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N4 O16 Zn2 -","- C28 H36 N4 O14 Zn2 -","- C112 H144 N16 O56 Zn8 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0915","0.067","","","0.1959","0.2101","","","","","","1.091","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219939","19.005","0.004","13.683","0.003","14.521","0.003","90","","119.11","0.03","90","","3299.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 O10 Zn2 -","- C16 H6 O10 Zn2 -","- C128 H48 O80 Zn16 -","8","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0357","0.0301","","","0.0784","0.0809","","","","","","1.068","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219940","19.851","0.003","19.851","0.003","9.876","0.002","90","","90","","120","","3370.4","1","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C30 H34 Co2 N2 O15 S2 -","- C30 H16 Co2 N2 O12 S2 -","- C90 H48 Co6 N6 O36 S6 -","3","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1136","0.0951","","","0.254","0.2646","","","","","","1.073","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219941","10.117","0.0011","16.767","0.002","22.415","0.002","90","","90","","90","","3802.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Co2 N4 O14 -","- C24 H24 Co2 N2 O12 -","- C96 H96 Co8 N8 O48 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1759","0.0779","","","0.1567","0.17","","","","","","1.015","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219942","21.818","0.004","14.704","0.003","26.282","0.005","90","","126.84","0.03","90","","6748","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 Co4 O29 S7 -","- C36 H24 Co4 O24 S2 -","- C144 H96 Co16 O96 S8 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1223","0.1127","","","0.2865","0.2943","","","","","","1.041","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219959","21.494","0.004","8.3309","0.0014","18.367","0.003","90","","121.704","0.003","90","","2798.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Cu4 I4 N8 -","- C19 H20 Cu4 I4 N8 -","- C76 H80 Cu16 I16 N32 -","4","0.5","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.048","0.0369","","","0.1006","0.1201","","","","","","1.162","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219960","18.283","0.005","8.628","0.002","21.554","0.005","90","","97.845","0.005","90","","3368.2","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cu4 I4 N10 -","- C24 H28 Cu4 I4 N10 -","- C96 H112 Cu16 I16 N40 -","4","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0698","0.0526","","","0.1355","0.1462","","","","","","1.05","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219961","15.9272","0.0008","9.005","0.0004","22.3483","0.0011","90","","102.105","0.001","90","","3134","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Cu2 I2 N4 -","- C11 H12 Cu2 I2 N4 -","- C88 H96 Cu16 I16 N32 -","8","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0322","0.0276","","","0.0541","0.0555","","","","","","1.175","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219962","7.1708","0.0004","8.4435","0.0004","12.2732","0.0006","91.226","0.0011","101.4","0.0012","111.39","0.001","674.7","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cl2 N4 Zn -","- C11 H14 Cl2 N4 Zn -","- C22 H28 Cl4 N8 Zn2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0186","0.0181","","","0.0442","0.0444","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219963","9.0863","0.0003","9.2004","0.0004","14.2638","0.0006","102.256","0.001","94.334","0.001","100.742","0.001","1136.56","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl2 N8 Zn -","- C20 H22 Cl2 N8 Zn -","- C40 H44 Cl4 N16 Zn2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0329","0.0261","","","0.0659","0.069","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219964","15.987","0.0015","18.722","0.0018","19.304","0.0019","116.971","0.002","91.384","0.002","90.88","0.002","5145.7","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 N14 Nd3 O61 S4 -","- C78 H92 N14 Nd3 O61 S4 -","- C156 H184 N28 Nd6 O122 S8 -","2","1","","Husain, Ahmad; Oliver, Clive L.","Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest","CrystEngComm","2015","17","15","3023","","10.1039/C5CE00153F","","","0.71073","MoKα","","0.0737","0.0471","","","0.1034","0.1143","","","","","","1.033","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219965","15.9282","0.0012","18.6918","0.0015","19.2219","0.0015","116.848","0.002","91.344","0.002","90.928","0.002","5102.3","0.7","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 N14 O61 S4 Sm3 -","- C78 H93 N14 O61 S4 Sm3 -","- C156 H186 N28 O122 S8 Sm6 -","2","1","","Husain, Ahmad; Oliver, Clive L.","Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest","CrystEngComm","2015","17","15","3023","","10.1039/C5CE00153F","","","0.71073","MoKα","","0.0416","0.0373","","","0.1069","0.1099","","","","","","1.06","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219972","24.4797","0.0003","24.5938","0.0003","25.2374","0.0003","118.436","0.001","111.969","0.001","94.229","0.001","11784.9","0.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C297.58 H466 Cu24 N35.6 O172.7 -","- C273.58 H96 Cu24 N27.6 O144.7 -","- C273.58 H96 Cu24 N27.6 O144.7 -","1","0.5","","Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Mother structures related to the hexagonal and cubic close packing in Cu24clusters: solvent-influenced derivatives","CrystEngComm","2015","17","17","3297","","10.1039/C5CE00251F","","","1.54184","CuKα","","0.0975","0.0859","","","0.2564","0.2744","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219973","15.074","0.002","3.9014","0.0004","17.001","0.003","90","","110.532","0.011","90","","936.3","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-methoxy-1-naphtaldehyde","","- C12 H10 O2.4 -","- C12 H10 O2.4 -","- C48 H40 O9.6 -","4","1","","Manolova, Y.; Kurteva, V.; Antonov, L.; Marciniak, H.; Lochbrunner, S.; Crochet, A.; Fromm, K. M.; Kamounah, F. S.; Hansen, P. E.","4-Hydroxy-1-naphthaldehydes: proton transfer or deprotonation.","Physical chemistry chemical physics : PCCP","2015","17","15","10238","10249","10.1039/c5cp00870k","","x-ray","0.71073","MoKα","","0.1244","0.059","","","0.1317","0.1567","","","","","","0.971","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219982","23.457","0.0013","11.7906","0.0006","8.1237","0.0005","90","","102.585","0.004","90","","2192.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C104 H80 F16 N16 -","8","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.1049","0.0555","","","0.1305","0.1547","","","","","","1.04","","","","has coordinates,has disorder","301864","2025-08-22","15:14:40",""
"7219983","12.7028","0.0017","8.3775","0.0008","11.5509","0.0012","90","","117.017","0.005","90","","1095.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.0685","0.0503","","","0.1263","0.1379","","","","","","1.026","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219984","6.7821","0.0004","22.9709","0.0013","6.9552","0.0004","90","","91.464","0.004","90","","1083.2","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.0541","0.0431","","","0.1044","0.1113","","","","","","1.053","","","","has coordinates,has disorder","301864","2025-08-22","15:14:40",""
"7219985","3.7233","0.0003","7.4294","0.0005","12.3158","0.001","98.262","0.004","90.019","0.004","91.709","0.005","336.99","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(isonicotinamide)-d-oxalic acid Form I","","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","1","0.5","","Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C.","Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal","CrystEngComm","2015","17","28","5273","","10.1039/C5CE00123D","","","0.71073","MoKα","","0.0373","0.0344","","","0.0953","0.0981","","","","","","1.112","","","","has coordinates","301864","2025-08-22","15:14:40",""
"7219986","6.9765","0.0007","8.1978","0.0008","13.1421","0.001","106.725","0.005","92.458","0.005","105.171","0.006","689.04","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(isonicotinamide)-d-oxalic acid Form II","","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","- C28 H16 D12 N8 O12 -","2","1","","Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C.","Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal","CrystEngComm","2015","17","28","5273","","10.1039/C5CE00123D","","","0.71073","MoKα","","0.086","0.0462","","","0.1178","0.1423","","","","","","1.005","","","","has coordinates","301864","2025-08-22","15:14:40",""
"7219987","7.697","0.0003","15.919","0.0005","16.027","0.0007","104.891","0.001","101.344","0.002","99.19","0.004","1814.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C26 H20 Cl8 Hg4 N6 -","- C26 H20 Cl8 Hg4 N6 -","- C52 H40 Cl16 Hg8 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.1363","0.0787","","","0.1929","0.2325","","","","","","0.964","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219988","8.7552","0.0008","14.1329","0.0014","23.646","0.002","90","","96.847","0.005","90","","2905","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br4 Hg2 N6 -","- C26 H20 Br4 Hg2 N6 -","- C104 H80 Br16 Hg8 N24 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","x-ray","0.7107","MoKα","","0.0652","0.0395","","","0.0776","0.0859","","","","","","1.03","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219989","9.3733","0.0007","35.998","0.002","9.8847","0.0006","90","","104.978","0.007","90","","3222","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 Br2 Hg N5 O -","- C34 H25 Br2 Hg N5 O -","- C136 H100 Br8 Hg4 N20 O4 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.1233","0.0323","","","0.0402","0.0456","","","","","","0.681","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219990","9.7571","0.0006","11.5338","0.0008","14.2949","0.0012","68.98","0.004","83.774","0.004","68.968","0.003","1401.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Hg I2 N6 -","- C26 H20 Hg I2 N6 -","- C52 H40 Hg2 I4 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","1.54178","CuKα","","0.1169","0.0922","","","0.2389","0.2643","","","","","","1.032","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219991","8.764","0.0004","11.8787","0.0004","15.0315","0.0006","73.615","0.003","88.714","0.005","88.11","0.006","1500.34","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Hg N6 O -","- C29 H28 Cl2 Hg N6 O -","- C58 H56 Cl4 Hg2 N12 O2 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0658","0.0558","","","0.1349","0.1369","","","","","","1.025","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219992","9.536","0.0004","10.9904","0.0004","15.8293","0.0006","86.58","0.004","73.062","0.003","78.506","0.006","1555.19","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","1","0.5","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0475","0.0357","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219993","10.3079","0.0004","18.8288","0.0007","11.5821","0.0005","90","","105.811","0.002","90","","2162.87","0.15","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C104 H80 N24 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0902","0.0447","","","0.0972","0.1168","","","","","","1.01","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219994","9.6825","0.0015","11.376","0.002","12.377","0.002","74.062","0.003","76.504","0.003","66.011","0.003","1186.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71075","MoKα","","0.0505","0.0387","","","0.0835","0.0863","","","","","","1.033","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219998","24.313","0.012","8.866","0.004","23.638","0.012","90","","103.544","0.006","90","","4954","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag N3 Nd2 O21 -","- C40 H36 Ag N3 Nd2 O21 -","- C160 H144 Ag4 N12 Nd8 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.1136","0.0967","","","0.2915","0.1794","","","","","","1.098","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219999","23.964","0.002","8.7801","0.0007","23.82","0.002","90","","103.087","0.001","90","","4881.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag Eu2 N3 O21 -","- C40 H36 Ag Eu2 N3 O21 -","- C160 H144 Ag4 Eu8 N12 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0636","0.0549","","","0.1649","0.1728","","","","","","1.063","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7220000","23.4208","0.0018","8.7474","0.0007","24.1695","0.0019","90","","102.525","0.001","90","","4833.8","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag Dy2 N3 O21 -","- C40 H36 Ag Dy2 N3 O21 -","- C160 H144 Ag4 Dy8 N12 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0648","0.0544","","","0.1713","0.1799","","","","","","1.094","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220001","23.738","0.005","8.74","0.002","23.966","0.005","90","","102.618","0.003","90","","4852.1","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag N3 O21 Tb2 -","- C40 H36 Ag N3 O21 Tb2 -","- C160 H144 Ag4 N12 O84 Tb8 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0698","0.0531","","","0.1625","0.1782","","","","","","1.009","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220002","8.8816","0.0009","10.0846","0.001","13.9316","0.0014","97.739","0.001","107.737","0.001","90.502","0.001","1176","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ag Ho2 N3 O19 -","- C40 H32 Ag Ho2 N3 O19 -","- C40 H32 Ag Ho2 N3 O19 -","1","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0482","0.044","","","0.116","0.1189","","","","","","1.064","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220003","8.8785","0.0009","10.0812","0.001","13.9267","0.0014","97.738","0.001","107.737","0.001","90.501","0.001","1174.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ag N3 O19 Yb2 -","- C40 H32 Ag N3 O19 Yb2 -","- C40 H32 Ag N3 O19 Yb2 -","1","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0509","0.0468","","","0.1284","0.1316","","","","","","1.041","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220004","13.669","0.003","15.925","0.003","14.633","0.003","90","","90","","90","","3185.3","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 Co2 N O10 -","- C14 H11 Co2 N O10 -","- C112 H88 Co16 N8 O80 -","8","1","","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong","Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties","CrystEngComm","2015","17","18","3519","","10.1039/C5CE00461F","","","0.71073","MoKα","","0.0542","0.05","","","0.1401","0.1447","","","","","","1.066","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220005","19.576","0.006","18.535","0.006","7.8377","0.0016","90","","94.15","0.03","90","","2836.4","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 K0 N0 O25 Zn4 -","- C20 H4 O25 Zn4 -","- C80 H16 O100 Zn16 -","4","0.5","","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong","Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties","CrystEngComm","2015","17","18","3519","","10.1039/C5CE00461F","","","0.71073","MoKα","","0.0899","0.0654","","","0.2214","0.2389","","","","","","1.219","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220006","12.8418","0.0003","7.5487","0.0002","26.461","0.0006","90","","90","","90","","2565.1","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","1.54184","CuKα","","0.046","0.0398","","","0.1083","0.1172","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:38",""
"7220007","4.7895","0.0003","11.3446","0.001","12.061","0.0009","93.472","0.007","100.357","0.006","94.022","0.006","641.28","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","1.54184","CuKα","","0.048","0.0414","","","0.1195","0.127","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:16:38",""
"7220008","12.4915","0.0015","7.5972","0.0014","26.1737","0.0018","90","","90","","90","","2483.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","P3-PolymorphI-Pbca","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","0.71073","MoKα","","0.0517","0.0419","","","0.099","0.1043","","","","","","1.085","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7220009","11.011","0.003","11.867","0.004","18.154","0.006","71.519","0.005","79.676","0.005","87.614","0.005","2213.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N4 S10 Zn -","- C34 H24 N4 S10 Zn -","- C68 H48 N8 S20 Zn2 -","2","1","","Madhu, Vedichi; Sabbani, Supriya; Kishore, Ravada; Naik, Indravath K.; Das, Samar K.","Mechanical motion in the solid state and molecular recognition: reversible cis‒trans transformation of an organic receptor in a solid‒liquid crystalline state reaction triggered by anion exchange","CrystEngComm","2015","17","17","3219","","10.1039/C5CE00449G","","","0.71073","MoKα","","0.0847","0.0691","","","0.1876","0.1992","","","","","","1.112","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220010","16.7488","0.0009","12.8214","0.0009","30.458","0.002","90","","116.084","0.004","90","","5874.5","0.7","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C112 H98 Mn5 O44 -","- C108 H74 Mn5 O38 -","- C216 H148 Mn10 O76 -","2","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71073","MoKα","","0.1612","0.083","","","0.1674","0.1875","","","","","","1.085","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220011","11.461","0.0012","12.126","0.0014","13.13","0.002","99.683","0.004","106.979","0.003","99.307","0.005","1676.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Mn3 N4 O18 -","- C78 H52 Mn3 N4 O18 -","- C78 H52 Mn3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1041","0.0628","","","0.144","0.1663","","","","","","1.015","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220012","11.429","0.0007","12.378","0.0008","12.766","0.0009","100.579","0.005","107.948","0.006","100.603","0.005","1632.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Mn3 N4 O18 -","- C74 H40 Mn3 N4 O18 -","- C74 H40 Mn3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1298","0.0758","","","0.1406","0.1636","","","","","","1.145","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220013","11.4063","0.0009","12.4905","0.0007","12.9267","0.0009","101.825","0.005","108.484","0.006","99.617","0.005","1655.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Cd3 N4 O18 -","- C74 H52 Cd3 N4 O18 -","- C74 H52 Cd3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71073","MoKα","","0.0853","0.0535","","","0.1121","0.13","","","","","","1.054","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220014","11.427","0.0009","12.165","0.001","13.217","0.001","100.658","0.007","107.125","0.007","98.125","0.006","1687.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Cd3 N4 O18 -","- C78 H40 Cd3 N4 O18 -","- C78 H40 Cd3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.0831","0.0577","","","0.1371","0.1596","","","","","","1.03","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220015","14.37","0.0012","28.431","0.002","17.883","0.002","90","","100.673","0.005","90","","7179.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H58 Co2 N4 Na O19.5 -","- C79 H53 Co2 N4 Na O19.5 -","- C316 H212 Co8 N16 Na4 O78 -","4","1","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1142","0.0613","","","0.1348","0.1598","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220016","10.672","0.0007","12.394","0.0007","12.501","0.0007","75.378","0.005","73.453","0.005","87.968","0.005","1532.5","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Co3 N2 O18 -","- C64 H44 Co3 N2 O18 -","- C64 H44 Co3 N2 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1035","0.0607","","","0.1392","0.1673","","","","","","1.018","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220017","32.986","0.0017","17.323","0.0015","28.382","0.0017","90","","148.758","0.014","90","","8411","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H71 Cu2 N8 O18.5 -","- C94 H70 Cu2 N8 O18.5 -","- C376 H280 Cu8 N32 O74 -","4","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.3418","0.1593","","","0.2424","0.2919","","","","","","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220018","8.92","0.0005","15.524","0.0008","15.861","0.0008","90.076","0.004","95.216","0.004","90.973","0.004","2186.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H88 Cu2 N6 O22 -","- C102 H88 Cu2 N6 O22 -","- C102 H88 Cu2 N6 O22 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.0926","0.0591","","","0.1386","0.162","","","","","","1.025","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220019","3.8788","0.0005","26.948","0.003","13.6006","0.0013","90","","93.164","0.009","90","","1419.4","0.3","270","0.1","270","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.1023","0.0756","","","0.207","0.2322","","","","","","1.091","","","","has coordinates","301865","2025-08-22","16:16:38",""
"7220020","3.7998","0.0004","26.683","0.003","13.4964","0.0013","90","","92.665","0.009","90","","1366.9","0.2","100","0.1","100","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.0532","0.0428","","","0.1125","0.1208","","","","","","1.131","","","","has coordinates","301865","2025-08-22","16:16:38",""
"7220021","3.8459","0.0005","26.658","0.003","14.03","0.04","90","","93.63","0.05","90","","1436","4","295","2","295","2","","","160000","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.0823","0.0601","","","0.1683","0.1895","","","","","","1.134","","","","has coordinates","301865","2025-08-22","16:16:38",""
"7220022","3.7825","0.0007","26.378","0.003","13.71","0.04","90","","93.76","0.06","90","","1365","4","295","2","295","2","","","640000","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.1279","0.1112","","","0.284","0.3072","","","","","","1.446","","","","has coordinates","301865","2025-08-22","16:16:38",""
"7220023","28.9324","0.0008","7.7007","0.0002","16.0837","0.0004","90","","107.629","0.002","90","","3415.16","0.16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N6 O12 Zn2 -","- C28 H20 N6 O12 Zn2 -","- C112 H80 N24 O48 Zn8 -","4","0.5","","Bhattacharya, Biswajit; Haldar, Ritesh; Maity, Dilip Kumar; Maji, Tapas Kumar; Ghoshal, Debajyoti","Pillared-bilayer porous coordination polymers of Zn(ii): enhanced hydrophobicity of pore surface by changing the pillar functionality","CrystEngComm","2015","17","18","3478","","10.1039/C5CE00143A","","","0.71073","MoKα","","0.072","0.0596","","","0.211","0.2252","","","","","","1.122","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220024","28.825","0.012","7.737","0.002","16.014","0.006","90","","108.23","0.03","90","","3392","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 N6 O12 Zn2 -","- C30 H18 N6 O12 Zn2 -","- C120 H72 N24 O48 Zn8 -","4","0.5","","Bhattacharya, Biswajit; Haldar, Ritesh; Maity, Dilip Kumar; Maji, Tapas Kumar; Ghoshal, Debajyoti","Pillared-bilayer porous coordination polymers of Zn(ii): enhanced hydrophobicity of pore surface by changing the pillar functionality","CrystEngComm","2015","17","18","3478","","10.1039/C5CE00143A","","","0.71073","MoKα","","0.0726","0.0483","","","0.137","0.1544","","","","","","1.029","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220032","8.07021","0.0001","19.1975","0.0003","17.7338","0.0002","90","","93.6245","0.0011","90","","2741.96","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N3 O S6 Yb -","- C25 H22 N3 O S6 Yb -","- C100 H88 N12 O4 S24 Yb4 -","4","1","","Ilichev, Vasily A.; Pushkarev, Anatoly P.; Rumyantcev, Roman V.; Yablonskiy, Artem N.; Balashova, Tatyana V.; Fukin, Georgy K.; Grishin, Dmitry F.; Andreev, Boris A.; Bochkarev, Mikhail N.","Luminescent properties of 2-mercaptobenzothiazolates of trivalent lanthanides.","Physical chemistry chemical physics : PCCP","2015","17","16","11000","11005","10.1039/c4cp05928j","","","0.71073","MoKα","","0.0292","0.021","","","0.0401","0.0417","","","","","","1.013","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220033","10.134","0.005","11.529","0.005","11.698","0.005","107.863","0.005","95.831","0.005","92.552","0.005","1290","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O10 Zn2 -","- C25 H27 N O10 Zn2 -","- C50 H54 N2 O20 Zn4 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71069","MoKα","","0.0675","0.0433","","","0.0944","0.1046","","","","","","1.042","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220034","10.1815","0.0011","11.5501","0.0012","11.6759","0.0012","108.454","0.001","96.56","0.002","92.829","0.002","1288.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Co2 N O10 -","- C25 H27 Co2 N O10 -","- C50 H54 Co4 N2 O20 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71073","MoKα","","0.0497","0.0406","","","0.1043","0.1105","","","","","","1.036","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220035","10.706","0.0005","11.234","0.0005","11.467","0.0006","93.608","0.001","111.597","0.001","107.995","0.001","1195.02","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O9 Zn2 -","- C23 H23 N O9 Zn2 -","- C46 H46 N2 O18 Zn4 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71073","MoKα","","0.0377","0.0293","","","0.0725","0.0766","","","","","","1.056","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220036","16.635","0.005","9.405","0.005","25.855","0.005","90","","96.657","0.005","90","","4018","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 Co2 N O12 -","- C39 H47 Co2 N O12 -","- C156 H188 Co8 N4 O48 -","4","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71069","MoKα","","0.0884","0.0481","","","0.117","0.1485","","","","","","1.037","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220037","12.913","0.001","13.7018","0.001","14.1084","0.0011","114.394","0.001","107.217","0.001","98.206","0.001","2068.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cd N9 O14 -","- C41 H31 Cd N9 O14 -","- C82 H62 Cd2 N18 O28 -","2","1","","Roy, Subhadip; Bauza, Antonio; Frontera, Antonio; Banik, Rupak; Purkayastha, Atanu; Drew, Michael G. B.; Reddy, Benjaram M.; Sridhar, Balasubramanian; Das, Saroj Kr.; Das, Subrata","Experimental observation and theoretical investigation of a novel Cd(ii) complex with π-hole interactions involving nitro groups","CrystEngComm","2015","17","21","3912","","10.1039/C5CE00453E","","","0.71073","MoKα","","0.0376","0.0332","","","0.0827","0.0858","","","","","","0.981","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220053","32.105","0.005","15.068","0.005","9.331","0.005","90","","90.772","0.005","90","","4514","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","catena-(hexakis(?2-cyanido)-decacyanido-tris(1,4,8,11-tetraazacyclotetra decane)-tri-nickel-di-tungsten solvate)","","- C48 H96 N28 Ni3 O10 W2 -","- C47.9996 H48 N28 Ni3 O10 W2 -","- C95.9992 H96 N56 Ni6 O20 W4 -","2","0.25","","Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Nitek, Wojciech; Kozieł, Marcin; Sieklucka, Barbara","Larger pores and higher Tc: {[Ni(cyclam)]3[W(CN)8]2·solv}n‒ a new member of the largest family of pseudo-polymorphic isomers among octacyanometallate-based assemblies","CrystEngComm","2015","17","18","3526","","10.1039/C5CE00287G","","","0.71069","MoKα","","0.0354","0.0307","","","0.0866","0.0892","","","","","","1.102","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220059","6.7137","0.0007","13.1237","0.0014","11.9402","0.0012","90","","120.524","0.006","90","","906.24","0.17","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B10 D10 Na2 -","- B10 D10 Na2 -","- B40 D40 Na8 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J.","The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach","CrystEngComm","2015","17","18","3533","","10.1039/C5CE00369E","powder diffraction","neutron","1.5398","","","","","","","","","0.06862","","1.09","","","","","","","has coordinates","291143","2024-04-09","08:49:27",""
"7220060","6.6535","0.0005","12.9636","0.001","11.851","0.0009","90","","120.203","0.004","90","","883.42","0.12","2.5","","2.5","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B10 D10 Na2 -","- B10 D10 Na2 -","- B40 D40 Na8 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J.","The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach","CrystEngComm","2015","17","18","3533","","10.1039/C5CE00369E","powder diffraction","neutron","1.5398","","","","","","","","","0.03762","","1.14","","","","","","","has coordinates","291143","2024-04-09","08:49:46",""
"7220061","6.6676","0.0007","7.3731","0.0007","21.962","0.003","98.895","0.009","91.912","0.009","99.057","0.008","1051.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 O3 -","- C24 H26 N4 O3 -","- C48 H52 N8 O6 -","2","1","","Schröder, Felix; Ojeda, Manuel; Erdmann, Nico; Jacobs, Jeroen; Luque, Rafael; Noël, Timothy; Van Meervelt, Luc; Van der Eycken, Johan; Van der Eycken, Erik V.","Supported gold nanoparticles as efficient and reusable heterogeneous catalyst for cycloisomerization reactions","Green Chem.","2015","17","6","3314","","10.1039/C5GC00430F","","","0.7107","MoKα","","0.0632","0.0563","","","0.1475","0.1519","","","","","","1.076","","","","has coordinates","301865","2025-08-22","16:16:38",""
"7220062","13.3119","0.0005","10.7033","0.0004","13.8141","0.0004","90","","91.8261","0.0012","90","","1967.25","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","quinoline fused isoxazole","quinoline","","- C22 H16 F N5 O3 -","- C22 H16 F N5 O3 -","- C88 H64 F4 N20 O12 -","4","1","","Poomathi, Nataraj; Mayakrishnan, Sivakalai; Muralidharan, Doraiswamy; Srinivasan, Rajagopal; Perumal, Paramasivan T.","Reaction of isatins with 6-amino uracils and isoxazoles: isatin ring-opening vs. annulations and regioselective synthesis of isoxazole fused quinoline scaffolds in water","Green Chem.","2015","17","6","3362","","10.1039/C5GC00006H","","","0.71073","MoKα","","0.0512","0.0373","","","0.0934","0.1036","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:38",""
"7220063","24.9048","0.0006","9.498","0.0002","22.2694","0.0006","90","","110.723","0.001","90","","4926.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","spiro","","- C30 H22 N4 O4.5 S0.5 -","- C30 H22 N4 O4.5 S0.5 -","- C240 H176 N32 O36 S4 -","8","2","","Poomathi, Nataraj; Mayakrishnan, Sivakalai; Muralidharan, Doraiswamy; Srinivasan, Rajagopal; Perumal, Paramasivan T.","Reaction of isatins with 6-amino uracils and isoxazoles: isatin ring-opening vs. annulations and regioselective synthesis of isoxazole fused quinoline scaffolds in water","Green Chem.","2015","17","6","3362","","10.1039/C5GC00006H","","","0.71073","MoKα","","0.2374","0.0662","","","0.1511","0.2177","","","","","","0.942","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7220091","11.0678","0.0016","23.228","0.004","27.246","0.004","90","","90","","90","","7004.5","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C292 H284 Au8 Cl12 N16 O16 P8 -","4","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.0945","0.078","","","0.1998","0.2106","","","","","","1.035","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220092","30.3688","0.0018","26.6704","0.0015","21.7986","0.0012","90","","109.056","0.0016","90","","16688.2","1.7","277","","277","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 Au2 Cl2 N4 O5 P2 -","- C68 H72 Au2 Cl2 N4 O5 P2 -","- C544 H576 Au16 Cl16 N32 O40 P16 -","8","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.1348","0.0542","","","0.1418","0.1788","","","","","","0.832","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220093","10.6798","0.0006","14.292","0.0007","22.3083","0.0013","97.4663","0.0016","90.7906","0.0016","91.1556","0.0014","3375","0.3","277","","277","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H76 Au2 Cl2 N4 O6 P2 -","- C69 H76 Au2 Cl2 N4 O6 P2 -","- C138 H152 Au4 Cl4 N8 O12 P4 -","2","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.2","0.0827","","","0.1781","0.2321","","","","","","0.964","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220253","11.455","0.002","8.5195","0.0017","16.698","0.003","90","","103.81","0.03","90","","1582.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Co(tdzdc)(4,4?-bipy)(H2O)]n","","- C14 H10 Co N4 O5 S -","- C14 H10 Co N4 O5 S -","- C56 H40 Co4 N16 O20 S4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0418","0.0374","","","0.082","0.084","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220254","34.618","0.007","10.056","0.002","7.5334","0.0015","90","","100.66","0.03","90","","2577.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{[Zn2(tdzdc)2(4,4?-bipy)(H2O)2]?3H2O}n","","- C18 H18 N6 O13 S2 Zn2 -","- C18 H8 N6 O13 S2 Zn2 -","- C72 H32 N24 O52 S8 Zn8 -","4","0.5","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.1021","0.0946","","","0.2215","0.225","","","","","","1.133","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220255","14.944","0.003","16.94","0.003","10.384","0.002","90","","123.74","0.03","90","","2186","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{[Co(tdzdc)(bpp)(H2O)]?3H2O}n","","- C17 H20 Co N4 O8 S -","- C17 H14 Co N4 O8 S -","- C68 H56 Co4 N16 O32 S4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0392","0.0348","","","0.0785","0.0807","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220256","14.55","0.003","10.115","0.002","7.4802","0.0015","90","","95.76","0.03","90","","1095.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn2(tdzdc)2(obpy)(H2O)2]n","","- C9 H6 N3 O6 S Zn -","- C9 H6 N3 O6 S Zn -","- C36 H24 N12 O24 S4 Zn4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0851","0.0722","","","0.1747","0.182","","","","","","1.153","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220257","10.772","0.002","18.039","0.004","18.646","0.004","90","","90","","90","","3623.2","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Zn(tdzdc)(tmb)]n","","- C16 H12 N8 O4 S Zn -","- C16 H12 N8 O4 S Zn -","- C128 H96 N64 O32 S8 Zn8 -","8","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.083","0.0581","","","0.1003","0.1088","","","","","","1.141","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220258","7.6957","0.0003","10.2182","0.0005","15.9408","0.0009","86.945","0.004","86.035","0.004","76.831","0.004","1216.73","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O21 Tb2 -","- C16 H20 N2 O21 Tb2 -","- C32 H40 N4 O42 Tb4 -","2","1","","Zhang, Lijuan; Zhu, Hongwei; Guo, Yan; Zhou, Yunshan; Yue, Qing; Shi, Zonghai","Synthesis, structures and photoluminescence of a series of 3D lanthanide‒organic coordination polymers constructed from versatile 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide and oxalic acid","CrystEngComm","2015","17","22","4150","","10.1039/C5CE00479A","","","0.71073","MoKα","","0.0454","0.0353","","","0.0617","0.0664","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220259","7.7297","0.0004","10.2725","0.0005","16.0234","0.0009","86.817","0.004","85.974","0.005","77.107","0.004","1236.13","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Eu2 N2 O21 -","- C16 H20 Eu2 N2 O21 -","- C32 H40 Eu4 N4 O42 -","2","1","","Zhang, Lijuan; Zhu, Hongwei; Guo, Yan; Zhou, Yunshan; Yue, Qing; Shi, Zonghai","Synthesis, structures and photoluminescence of a series of 3D lanthanide‒organic coordination polymers constructed from versatile 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide and oxalic acid","CrystEngComm","2015","17","22","4150","","10.1039/C5CE00479A","","","0.71073","MoKα","","0.0684","0.0454","","","0.0655","0.0734","","","","","","1.008","","","","has coordinates","138510","2020-10-21","18:00:00",""
"7220260","6.39","0.0003","9.8657","0.0006","12.5336","0.0009","92.036","0.003","97.215","0.004","94.435","0.004","780.72","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 O7 U -","- C14 H20 O7 U -","- C28 H40 O14 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0333","0.0268","","","0.0567","0.0582","","","","","","1.013","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220261","11.9941","0.0006","12.8275","0.0007","13.8161","0.0007","90","","106.114","0.003","90","","2042.15","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O7 U -","- C19 H27 N O7 U -","- C76 H108 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0504","0.0281","","","0.0528","0.0568","","","","","","0.95","","","","has coordinates,has disorder","138539","2020-10-21","18:00:00",""
"7220262","22.0938","0.0011","9.487","0.0003","17.2485","0.0009","90","","117.251","0.002","90","","3214.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H19.5 N0.5 O6 U -","- C15 H19.5 N0.5 O6 U -","- C120 H156 N4 O48 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0303","0.024","","","0.055","0.0565","","","","","","1.073","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220263","8.4491","0.0006","25.5329","0.0014","9.3969","0.0008","90","","94.063","0.005","90","","2022.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O7 U -","- C17 H25 N O7 U -","- C68 H100 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0944","0.0773","","","0.1842","0.1927","","","","","","1.189","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220264","16.5765","0.0004","13.5501","0.0004","24.0775","0.0008","90","","95.8","0.002","90","","5380.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H76 N2 O19 U2 -","- C46 H76 N2 O19 U2 -","- C184 H304 N8 O76 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0682","0.0384","","","0.0828","0.09","","","","","","0.984","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220265","10.9563","0.0008","12.8519","0.001","14.8421","0.0012","70.974","0.002","83.543","0.002","86.737","0.002","1962.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Eu2 N4 O13 -","- C42 H26 Eu2 N4 O13 -","- C84 H52 Eu4 N8 O26 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.087","0.0554","","","0.1074","0.1297","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220266","10.8919","0.0015","12.852","0.0017","14.933","0.002","70.463","0.003","82.65","0.002","85.85","0.003","1952.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N4 O13 Tb2 -","- C42 H26 N4 O13 Tb2 -","- C84 H52 N8 O26 Tb4 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.1191","0.057","","","0.077","0.0953","","","","","","0.822","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220267","10.7901","0.0009","12.8494","0.001","15.0261","0.0012","69.573","0.001","81.107","0.002","84.518","0.002","1926.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N4 O13 Yb2 -","- C42 H26 N4 O13 Yb2 -","- C84 H52 N8 O26 Yb4 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.0742","0.0478","","","0.0935","0.1074","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220268","10.239","0.0008","6.0429","0.0004","16.454","0.002","90","","95.999","0.008","90","","1012.49","0.16","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Quinizarin","1,4-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.","Investigation into solid and solution properties of quinizarin","CrystEngComm","2015","17","21","3985","","10.1039/C5CE00147A","","","0.71073","MoKα","","0.0566","0.0464","","","0.1213","0.1314","","","","","","0.984","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220269","20.0099","0.0012","24.6219","0.0009","18.3201","0.0011","90","","116.274","0.008","90","","8093.5","0.9","93","2","93","2","","","","","","","","3","C 1 c 1","C -2yc","9","Quinizarin","1,4-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C448 H256 O128 -","32","8","","Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.","Investigation into solid and solution properties of quinizarin","CrystEngComm","2015","17","21","3985","","10.1039/C5CE00147A","","","0.71073","MoKα","","0.0672","0.0441","","","0.1086","0.1253","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220270","11.0209","0.0001","16.093","0.0002","26.6261","0.0004","90","","90.074","0.001","90","","4722.38","0.1","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5","C-methyl tetramethoxy resorcinarene bis-crown-5","","- C52 H68 O14 -","- C52 H68 O14 -","- C208 H272 O56 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.5418","CuKα","","0.0594","0.0499","","","0.1361","0.1455","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220271","11.3557","0.0013","13.324","0.002","16.537","0.003","108.171","0.008","94.406","0.008","92.266","0.007","2365","0.6","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene bis-crown-5","C-methyl tetramethoxy resorcinarene bis-crown-5","","- C52 H68 O14 -","- C52 H68 O14 -","- C104 H136 O28 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54178","CuKα","","0.0898","0.0556","","","0.1303","0.1503","","","","","","1.027","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220272","8.9268","0.0003","14.4126","0.0007","20.6525","0.0011","85.264","0.002","85.152","0.002","73.771","0.003","2537.3","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate","","- C54 H71 N O14 -","- C54 H71 N O14 -","- C108 H142 N2 O28 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54178","CuKα","","0.0809","0.0526","","","0.1215","0.1393","","","","","","1.018","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220273","17.9718","0.0004","19.3215","0.0003","15.5981","0.0002","90","","102.183","0.0017","90","","5294.33","0.16","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate","","- C54 H74 Cl2 O15 -","- C54 H74 Cl2 O15 -","- C216 H296 Cl8 O60 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.5418","CuKα","","0.1117","0.0932","","","0.2789","0.2996","","","","","","1.075","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220274","17.5687","0.0004","23.0884","0.0005","15.7904","0.0003","90","","108.034","0.002","90","","6090.4","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5 chloroform solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 chloroform solvate","","- C55 H71 Cl9 O14 -","- C55 H71 Cl9 O14 -","- C220 H284 Cl36 O56 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","0.71073","MoKα","","0.1329","0.086","","","0.2238","0.2632","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220275","13.2706","0.0003","15.2318","0.0003","16.1051","0.0004","80.0591","0.0019","89.3602","0.0019","88.922","0.0018","3205.86","0.13","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate","di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate","","- C53.5 H71 Cs2 F12 O14.5 P2 -","- C53.5 H71 Cs2 F12 O14.5 P2 -","- C107 H142 Cs4 F24 O29 P4 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.047","0.0408","","","0.1086","0.1138","","","","","","1.029","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220276","19.9517","0.0004","16.9799","0.0004","17.9735","0.0004","90","","105.634","0.002","90","","5863.7","0.2","123.01","0.1","123.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","disilver C-methyl tetramethoxy resorcinarene bis-crown-5 di(hexafluorophosphate)","disilver C-methyl tetramethoxy resorcinarene bis-crown-5 di(hexafluorophosphate)","","- C53.5 H72.5 Ag2 F12 O15.25 P2 -","- C52 H68 Ag2 F12 O14 P2 -","- C208 H272 Ag8 F48 O56 P8 -","4","0.5","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.0635","0.056","","","0.1684","0.177","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220277","21.0806","0.0005","37.7868","0.0008","14.1827","0.0003","90","","90","","90","","11297.5","0.4","123.01","0.1","123.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","","- C54 H76 Ag F3 O20 S -","- C54.5 H74 Ag F3 O20 S -","- C436 H592 Ag8 F24 O160 S8 -","8","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.1002","0.0869","","","0.2543","0.2731","","","","","","1.041","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220278","15.805","0.0007","16.2661","0.0007","18.4549","0.0006","94.688","0.003","95.58","0.003","117.328","0.004","4151.9","0.3","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate","C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate","","- C44.5 H56 Cl1.5 D0.5 O12 -","- C44.5 H56.5 Cl1.5 O12 -","- C178 H226 Cl6 O48 -","4","2","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.097","0.0744","","","0.2054","0.2335","","","","","","1.031","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220279","17.5554","0.0003","13.43772","0.00018","19.9408","0.0004","90","","114.831","0.002","90","","4269.23","0.14","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrilesolvate","C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrile solvate","","- C46 H57 N O11 -","- C46 H57 N O11 -","- C184 H228 N4 O44 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","0.71073","MoKα","","0.0552","0.0434","","","0.1026","0.1104","","","","","","1.023","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220280","5.7534","0.0003","9.4518","0.0005","11.2735","0.0009","90","","90","","90","","613.05","0.07","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- B N O10 Pb6 -","- B N O10 Pb6 -","- B2 N2 O20 Pb12 -","2","0.25","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0511","0.0409","","","0.0778","0.0817","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220281","12.589","0.007","15.197","0.007","9.669","0.005","90","","115.502","0.008","90","","1669.6","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B2 H N3 O17 Pb6 -","- B2 N3 O16 Pb6 -","- B8 N12 O64 Pb24 -","4","0.5","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0583","0.0472","","","0.1116","0.1151","","","","","","0.979","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220282","9.0637","0.0003","9.9713","0.0004","11.6123","0.0005","85.559","0.003","79.021","0.003","88.64","0.003","1027.14","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- B2 H N3 O19 Pb8 -","- B2 N3 O19 Pb8 -","- B4 N6 O38 Pb16 -","2","1","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0268","0.0218","","","0.0342","0.0364","","","","","","0.924","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220283","8.8603","0.0007","15.0334","0.0012","15.751","0.0012","91.487","0.002","101.436","0.002","104.501","0.001","1984.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetraarylpyrene","tetraarylpyrene","","- C110 H94 O4 -","- C110 H94 O4 -","- C110 H94 O4 -","1","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.069","0.0513","","","0.1309","0.1447","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220284","16.743","0.006","11.222","0.004","20.629","0.007","90","","110.342","0.006","90","","3634","2","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C44 H59 O2 -","- C44 H59 O2 -","- C176 H236 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1378","0.078","","","0.1881","0.2159","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220285","16.7","0.005","11.277","0.004","20.825","0.007","90","","110.134","0.007","90","","3682","2","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C45 H60 O2 -","- C45 H60 O2 -","- C180 H240 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1765","0.0883","","","0.2046","0.2447","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220286","17.096","0.004","11.004","0.002","21.653","0.005","90","","110.79","0.004","90","","3808.2","1.4","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C45 H61 O2 -","- C45 H61 O2 -","- C180 H244 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1871","0.0986","","","0.2617","0.3125","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220287","8.126","0.002","8.979","0.003","14.064","0.004","71.815","0.007","75.414","0.007","66.78","0.007","886.1","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetraarylpyrene","tetraarylpyrene","","- C48 H42 O4 -","- C48 H42 O4 -","- C48 H42 O4 -","1","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.0664","0.0486","","","0.1252","0.1339","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220288","11.057","0.005","12.6","0.005","13.982","0.005","82.66","0.005","84.841","0.005","82.541","0.005","1910.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H29 Cd2 N4 O8.5 -","- C44 H28 Cd2 N4 O8.5 -","- C88 H56 Cd4 N8 O17 -","2","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.0538","0.0357","","","0.0845","0.093","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220289","11.561","0.005","14.705","0.005","11.867","0.005","90","","95.169","0.005","90","","2009.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cd N2 O4.5 -","- C24 H14 Cd N2 O4.5 -","- C96 H56 Cd4 N8 O18 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.0447","0.0294","","","0.066","0.0717","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220290","15.0315","0.0014","10.8209","0.001","20.331","0.0019","90","","106.002","0.002","90","","3178.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cu2 N6 O9 -","- C31 H22 Cu2 N6 O8 -","- C124 H88 Cu8 N24 O32 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71073","MoKα","","0.0923","0.0474","","","0.0834","0.0925","","","","","","1.023","","","","has coordinates","143406","2020-10-21","18:00:00",""
"7220291","15.481","0.005","15.415","0.005","15.994","0.005","90","","118.221","0.005","90","","3363.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H66 Co3 N8 O18 -","- C72 H66 Co3 N8 O18 -","- C144 H132 Co6 N16 O36 -","2","0.5","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.063","0.0439","","","0.1071","0.1172","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220292","9.7473","0.0019","15.238","0.003","30.16","0.006","90","","93.463","0.003","90","","4471.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Cd2 N10 O11 -","- C48 H34.5 Cd2 N10 O11 -","- C192 H138 Cd8 N40 O44 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71073","MoKα","","0.1349","0.0821","","","0.2085","0.2446","","","","","","1.018","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220293","13.135","0.001","13.135","0.001","5.8794","0.0012","90","","90","","120","","878.5","0.2","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0228","0.0227","","","0.057","0.057","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220294","13.0601","0.0003","13.0601","0.0003","5.8637","0.0003","90","","90","","120","","866.15","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0297","0.0291","","","0.0581","0.0583","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220295","13.0479","0.0003","13.0479","0.0003","5.8596","0.0002","90","","90","","120","","863.93","0.04","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0304","0.0299","","","0.0606","0.0609","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220296","13.0373","0.0003","13.0373","0.0003","5.8491","0.0003","90","","90","","120","","860.98","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0336","0.0329","","","0.0666","0.0669","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220297","15.4619","0.0008","16.9321","0.0008","19.698","0.001","90","","110.386","0.005","90","","4834","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C146 H48 B2 Cl4 N12 O2 -","- C146 H48 B2 Cl4 N12 O2 -","- C292 H96 B4 Cl8 N24 O4 -","2","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Lyubovskaya, Rimma N.","Coordination complex of boron subphthalocyanine (BSubPc) with fluorenone pinacolate: effective π‒π interaction of concave BSubPc macrocycle with fullerene C60","CrystEngComm","2015","17","21","3923","","10.1039/C5CE00754B","","","0.85507","synchrotron","","0.1058","0.0808","","","0.1919","0.2045","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220298","9.687","0.002","17.32","0.005","12.544","0.003","90","","108.034","0.007","90","","2001.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 Pd S7 -","- C13 H18 N2 Pd S7 -","- C52 H72 N8 Pd4 S28 -","4","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization","CrystEngComm","2015","17","22","4161","","10.1039/C5CE00469A","","","0.71073","MoKα","","0.0475","0.0289","","","0.0633","0.0673","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220299","14.578","0.001","16.218","0.001","16.257","0.001","90","","90","","90","","3843.6","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 Pt S7 -","- C13 H18 N2 Pt S7 -","- C104 H144 N16 Pt8 S56 -","8","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization","CrystEngComm","2015","17","22","4161","","10.1039/C5CE00469A","","","0.71073","MoKα","","0.0582","0.0294","","","0.0641","0.0738","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220300","18.7965","0.001","13.9047","0.0008","12.8843","0.0006","90","","96.01","0.004","90","","3348.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[di-(3-trimethylammonium-benzoic acid)-(3-trimethylammonium-benzoate)]diiodide","","- C30 H41 I2 N3 O6 -","- C30 H41 I2 N3 O6 -","- C120 H164 I8 N12 O24 -","4","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl–carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.1164","0.0553","","","0.0715","0.1651","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220301","37.3738","0.0017","13.9167","0.0011","12.8674","0.0007","90","","90","","90","","6692.6","0.7","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[di-(3-trimethylammonium-benzoic acid)-(3-trimethylammonium-benzoate)]diiodide","","- C30 H41 I2 N3 O6 -","- C30 H41 I2 N3 O6 -","- C240 H328 I16 N24 O48 -","8","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl–carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.1384","0.0639","","","0.0823","0.1033","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220302","8.1929","0.0002","11.3278","0.0003","13.1285","0.0003","90","","105.735","0.003","90","","1172.76","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-trimethylammonium-benzoic acid iodide","3-trimethylammonium-benzoic acid iodide","","- C10 H14 I N O2 -","- C10 H14 I N O2 -","- C40 H56 I4 N4 O8 -","4","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl–carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.0765","0.0675","","","0.1846","0.1988","","","","","","1.017","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220303","7.7212","0.0008","11.4938","0.0012","11.997","0.0012","90","","115.507","0.001","90","","960.91","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi2 Mo2.66 O12 W0.34 -","- Bi2 Mo2.656 O12 W0.344 -","- Bi8 Mo10.624 O48 W1.376 -","4","1","","Tian, Xiangxin; Wu, Qian; Zhao, Peng; Wang, Zheng; Feng, Xiaoxiao; Li, Conggang; Sun, Youxuan; Wang, Shanpeng; Gao, Zeliang; Tao, Xutang","Top-seeded solution growth and characterization of a Bi2Mo2.66W0.34O12single crystal","CrystEngComm","2015","17","24","4525","","10.1039/C5CE00639B","","","0.71069","MoKα","","0.0353","0.0249","","","0.0449","0.0479","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220304","4.7574","0.0007","11.0476","0.0017","26.177","0.005","90","","90","","90","","1375.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-5-(4-bromophenyl)-7-trifluoromethylpyrazolo[1,5-a]pyrimidine","","- C14 H9 Br F3 N3 -","- C14 H9 Br F3 N3 -","- C56 H36 Br4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0905","0.0441","","","0.0991","0.1262","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220305","3.9185","0.0003","10.5324","0.001","25.539","0.002","90","","90.642","0.003","90","","1053.96","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0931","0.0515","","","0.1373","0.163","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220306","3.8161","0.0002","10.6532","0.0005","25.8317","0.0012","90","","90.724","0.003","90","","1050.07","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine","","- C13 H10 F N3 -","- C13 H10 F N3 -","- C52 H40 F4 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1022","0.0553","","","0.1472","0.1941","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220307","3.9134","0.0001","10.8096","0.0002","13.8568","0.0003","90","","96.907","0.001","90","","581.92","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(4-bromophenyl)-pyrazolo[1,5-a]pyrimidine","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C26 H20 Br2 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0759","0.0464","","","0.1055","0.1173","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220308","4.0774","0.0003","12.7591","0.0006","19.5223","0.0009","90","","90","","90","","1015.63","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(pyrid-2-yl)pyrazolo[1,5-a]pyrimidine","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1094","0.0507","","","0.1222","0.1464","","","","","","0.957","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220309","7.8462","0.0005","11.2089","0.0009","16.8641","0.0012","90","","92.389","0.005","90","","1481.86","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-methyl-5-(naphthalen-2-yl)-7-(trifluorometh","","","- C18 H12 F3 N3 -","- C18 H12 F3 N3 -","- C72 H48 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.191","0.0535","","","0.1099","0.1521","","","","","","0.954","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220310","10.3016","0.0007","16.0564","0.0011","6.8555","0.0006","90","","93.098","0.005","90","","1132.29","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[1,5-a]pyrimidine","2,5-dimethyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine","","- C9 H8 Cl3 N3 -","- C9 H8 Cl3 N3 -","- C36 H32 Cl12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1291","0.0754","","","0.1958","0.2157","","","","","","0.878","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220311","11.2451","0.0008","5.8697","0.0004","20.9201","0.0016","90","","104.896","0.005","90","","1334.43","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-tricholoromethyl-5-propylpyrazolo[1,5-a]pyrimidine","","- C11 H12 Cl3 N3 -","- C11 H12 Cl3 N3 -","- C44 H48 Cl12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0576","0.0361","","","0.1069","0.1361","","","","","","1.1","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220312","7.4329","0.0002","6.7756","0.0002","11.1667","0.0003","90","","90.276","0.001","90","","562.37","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo-2-methyl-7-tricholomethylpyrazolo[1,5-a]pyrimidine","","- C8 H5 Br Cl3 N3 -","- C8 H5 Br Cl3 N3 -","- C16 H10 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0482","0.0362","","","0.0954","0.1008","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220313","9.6363","0.0003","6.9353","0.0002","9.8541","0.0003","90","","111.24","0.002","90","","613.82","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo -2,5-dimethyl-7-trichoromethylpyrazolo[1,5-a]pyrimidine","","- C9 H7 Br Cl3 N3 -","- C9 H7 Br Cl3 N3 -","- C18 H14 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0578","0.0416","","","0.1251","0.1357","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220314","4.8715","0.0002","11.2655","0.0005","13.5584","0.0006","110.225","0.003","96.808","0.003","99.835","0.003","675.13","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrazolo[1,5-a]pyrimidine","2-methyl-5-p-tolyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine","","- C15 H12 F3 N3 -","- C15 H12 F3 N3 -","- C30 H24 F6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0959","0.0595","","","0.1859","0.2282","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220315","4.7929","0.0004","10.5914","0.0009","26.224","0.002","90","","90","","90","","1331.22","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chlorophenyl trifluoromethyl methylpyrirazole pyridine","5-(4-chlorophenyl)-7-trifluoromethyl-2-methylpyrirazole[1,5-a]pyridine","","- C14 H9 Cl F3 N3 -","- C14 H9 Cl F3 N3 -","- C56 H36 Cl4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0642","0.0367","","","0.0766","0.0878","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220316","16.126","0.003","8.7468","0.0017","9.3691","0.0019","90","","90","","90","","1321.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N, N-diisopropylpropan-1-ammonium perchlorate","","- C9 H22 Cl N O4 -","- C9 H22 Cl N O4 -","- C36 H88 Cl4 N4 O16 -","4","1","","Wang, Wen-Xiang; Huang, Yao","High temperature phase transitions in N,N-diisopropylpropan-1-ammonium perchlorate","CrystEngComm","2015","17","20","3783","","10.1039/C4CE02562H","","","0.71073","MoKα","","0.0805","0.0491","","","0.1052","0.1173","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220317","16.424","0.018","32.97","0.04","7.432","0.01","90","","92.02","0.03","90","","4022","9","123","2","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14.98 N2 O4 Zn -","- C26 H14.982 N2 O4 Zn -","- C104 H59.928 N8 O16 Zn4 -","4","0.5","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","1.54187","CuKα","","0.0731","0.0689","","","0.2051","0.2151","","","","","","1.076","","","","has coordinates,has disorder","143414","2020-10-21","18:00:00",""
"7220318","8.5983","0.0006","10.15","0.0007","16.0657","0.001","75.657","0.002","88.717","0.002","67.973","0.002","1255.35","0.15","123","2","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cu N2 O4 -","- C26 H16 Cu N2 O4 -","- C52 H32 Cu2 N4 O8 -","2","1","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","0.71073","MoKα","","0.0752","0.0559","","","0.1713","0.182","","","","","","1.06","","","","has coordinates,has disorder","143414","2020-10-21","18:00:00",""
"7220319","25.938","0.003","18.158","0.002","16.7929","0.0019","90","","116.945","0.002","90","","7050.6","1.4","123","2","123.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C77 H63 Co3 N7 O16 -","- C77 H63 Co3 N7 O16 -","- C308 H252 Co12 N28 O64 -","4","1","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","0.71073","MoKα","","0.059","0.048","","","0.1302","0.1757","","","","","","1.078","","","","has coordinates","143414","2020-10-21","18:00:00",""
"7220320","16.5081","0.0007","23.4259","0.0008","10.2617","0.0003","90","","92.433","0.003","90","","3964.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O6 W -","- C16 H26 N4 O6 W -","- C128 H208 N32 O48 W8 -","8","2","","Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing","Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2−","CrystEngComm","2015","17","24","4592","","10.1039/C5CE00220F","","","1.54178","CuKα","","0.1131","0.084","","","0.1897","0.2009","","","","","","1.178","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220321","7.1077","0.0006","30.734","0.003","9.8061","0.0008","90","","102.769","0.002","90","","2089.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N5 O6 W -","- C17 H30 N5 O6 W -","- C68 H120 N20 O24 W4 -","4","1","","Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing","Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2−","CrystEngComm","2015","17","24","4592","","10.1039/C5CE00220F","","","0.71073","MoKα","","0.082","0.0577","","","0.1067","0.1171","","","","","","1.087","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220322","23.7742","0.0003","23.7742","0.0003","13.7571","0.0002","90","","90","","120","","6733.94","0.16","103","2","103","2","","","","","","","","7","P -3","-P 3","147","(TT-TTF)3(PMo12O40)","(TT-TTF)3(PMo12O40)","","- C67 H36 Cl2 Mo12 O40 P S36 -","- C67 H36 Cl2.01 Mo12 O40 P S36 -","- C134 H72 Cl4.02 Mo24 O80 P2 S72 -","2","0.333333","","Zhang, Shangxi; Lu, Xiaofeng; Sun, Jibin; Zhao, Yali; Shao, Xiangfeng","Honeycomb supramolecular frameworks of organic‒inorganic hybrid cluster composed of cation radical and Keggin-type polyoxometalate","CrystEngComm","2015","17","22","4110","","10.1039/C5CE00510H","","","0.71073","MoKα","","0.0352","0.0264","","","0.0527","0.0569","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220323","10.9252","0.0009","9.3337","0.0006","14.2595","0.0003","90","","98.0093","0.001","90","","1439.89","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Zn(Im)(HIm)2(OAc)","","- C11 H14 N6 O2 Zn -","- C11 H14 N6 O2 Zn -","- C44 H56 N24 O8 Zn4 -","4","1","","Shi, Qi; Wang, Fei; Kang, Xiaozhen; Xu, Jun; Huang, Yining; Li, Jinping; Dong, Jinxiang","A single precursor approach for ZIF synthesis: transformation of a new 1D [Zn(Im)(HIm)2(OAc)] structure to 3D Zn(Im)2frameworks","CrystEngComm","2015","17","21","3998","","10.1039/C5CE00211G","","","0.71073","MoKα","","0.1112","0.0656","","","0.1627","0.1726","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220324","9.3789","0.0003","10.9247","0.0004","18.8993","0.0006","104.858","0.003","94.314","0.002","107.714","0.003","1758.1","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H10 O14 Zn2.5 -","- C24 H10 O14 Zn2.5 -","- C48 H20 O28 Zn5 -","2","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54178","CuKα","","0.0508","0.0465","","","0.1505","0.1558","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220325","11.0076","0.0004","21.4138","0.0008","13.7391","0.0006","90","","108.52","0.005","90","","3070.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 N0 O13 Zn -","- C24 H13 O13 Zn -","- C96 H52 O52 Zn4 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0624","0.0457","","","0.0989","0.1056","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220326","18.3439","0.0003","8.809","0.0001","23.4388","0.0004","90","","101.965","0.002","90","","3705.22","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N2 O8.5 Zn -","- C17 H20 N2 O8.5 Zn -","- C136 H160 N16 O68 Zn8 -","8","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0568","0.0548","","","0.1477","0.1492","","","","","","1.06","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220327","12.024","0.003","13.773","0.004","15.85","0.004","90","","99.093","0.005","90","","2591.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O10 Zn2 -","- C16 H11 N O10 Zn2 -","- C64 H44 N4 O40 Zn8 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","0.71073","MoKα","","0.0523","0.0439","","","0.1314","0.1359","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220328","17.0549","0.0003","15.3986","0.0003","23.0104","0.0005","90","","102.754","0.002","90","","5893.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N2 O18 Zn4 -","- C38 H41 N4 O18 Zn4 -","- C152 H164 N16 O72 Zn16 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0933","0.0824","","","0.25","0.2626","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220329","12.6554","0.0036","16.0575","0.0033","5.2045","0.0012","90","","90","","90","","1057.6","0.4","308","2","308","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L tyrosine ethyl ester","L tyrosine ethyl ester","","- C11 H15 N O3 -","- C11 H15 N O3 -","- C44 H60 N4 O12 -","4","1","","Nicolaï, Béatrice; Itié, Jean-Paul; Barrio, Maria; Tamarit, Josep-Lluìs; Rietveld, Ivo B.","Thermodynamics by synchrotron X-ray diffraction: phase relationships and crystal structure ofl-tyrosine ethyl ester form III","CrystEngComm","2015","17","21","3974","","10.1039/C5CE00284B","","","0.4499","synchrotron","","2.629","","","","","0.284","","","","","","1.636","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220330","6.9599","0.0005","25.9822","0.0013","8.01","0.0005","90","","105.224","0.007","90","","1397.64","0.16","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","theophylline-salicylic acid cocrystal","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Zhang, Shuo; Chen, Hong; Rasmuson, Åke. C.","Thermodynamics and crystallization of a theophylline–salicylic acid cocrystal","CrystEngComm","2015","17","22","4125","","10.1039/C5CE00240K","","","1.54178","CuKα","","0.0886","0.0718","","","0.1994","0.2085","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220331","26.648","0.003","14.3871","0.0011","15.1191","0.001","90","","90","","90","","5796.5","0.9","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Cl2 Cu N3 O6 -","- C36 H21 Cl2 Cu N3 O6 -","- C288 H168 Cl16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2665","0.2272","","","0.5573","0.5743","","","","","","2.242","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220332","26.8621","0.0018","14.5732","0.0008","15.1408","0.0007","90","","90","","90","","5927.1","0.6","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Cu N3 O6 -","- C36 H21 Br2 Cu N3 O6 -","- C288 H168 Br16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2463","0.2047","","","0.5611","0.577","","","","","","2.353","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220333","26.7895","0.0007","14.5479","0.0004","15.1124","0.0005","90","","90","","90","","5889.8","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H23 Cl2 Hg N3 O7 -","- C36 H23 Cl2 Hg N3 O7 -","- C288 H184 Cl16 Hg8 N24 O56 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1824","0.1633","","","0.5056","0.52","","","","","","2.395","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220334","26.8929","0.0009","14.6597","0.0004","15.0879","0.0004","90","","90","","90","","5948.3","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Hg N3 O6 -","- C36 H21 Br2 Hg N3 O6 -","- C288 H168 Br16 Hg8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1675","0.1384","","","0.4497","0.4686","","","","","","1.986","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220335","7.0081","0.0014","11.651","0.004","12.321","0.003","88.883","0.014","78.274","0.015","87.09","0.02","983.7","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 S2 -","- C17 H21 Fe N5 O2 S2 -","- C34 H42 Fe2 N10 O4 S4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0751","0.0729","","","0.1709","0.1776","","","","","","1.095","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220336","7.054","0.0002","11.7587","0.0006","12.42","0.0006","90","","102.097","0.003","90","","1007.31","0.08","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C17 H21 Fe N5 O2 S2 -","- C17 H21 Fe N5 O2 S2 -","- C34 H42 Fe2 N10 O4 S4 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal–ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71069","MoKα","","0.0419","0.0388","","","0.1068","0.1101","","","","","","1.075","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220337","7.065","0.005","11.601","0.005","12.596","0.005","87.073","0.005","78.284","0.005","83.751","0.005","1004.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 Se2 -","- C17 H21 Fe N5 O2 Se2 -","- C34 H42 Fe2 N10 O4 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal–ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0444","0.0385","","","0.1015","0.1043","","","","","","1.156","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220338","7.1138","0.0005","11.8204","0.0008","12.7513","0.0008","88.872","0.005","77.488","0.005","87.918","0.005","1046","0.12","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 Se2 -","- C17 H21 Fe N5 O2 Se2 -","- C34 H42 Fe2 N10 O4 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal–ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.1801","0.1403","","","0.3974","0.4351","","","","","","1.584","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220339","10.0292","0.0001","12.6468","0.0001","16.6405","0.0002","76.624","0.001","79.849","0.001","88.912","0.001","2020.72","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 S2 -","- C17 H23 Fe N7 S2 -","- C68 H92 Fe4 N28 S8 -","4","2","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal–ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0444","0.0326","","","0.0794","0.085","","","","","","1.017","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220340","10.078","0.0002","12.7955","0.0004","16.6985","0.0005","76.079","0.001","80.178","0.002","89.127","0.002","2058.69","0.1","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 S2 -","- C17 H23 Fe N7 S2 -","- C68 H92 Fe4 N28 S8 -","4","2","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal–ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0927","0.0439","","","0.0888","0.1041","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220341","7.2421","0.0002","11.5317","0.0004","12.6415","0.0003","84.884","0.002","77.206","0.002","83.702","0.002","1021.02","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 Se2 -","- C17 H23 Fe N7 Se2 -","- C34 H46 Fe2 N14 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal–ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71069","MoKα","","0.0419","0.039","","","0.1083","0.1113","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220342","7.275","0.002","11.692","0.004","12.76","0.004","85.868","0.002","76.764","0.002","85.302","0.002","1051.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 Se2 -","- C17 H23 Fe N7 Se2 -","- C34 H46 Fe2 N14 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal–ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.043","0.0349","","","0.0885","0.0938","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220343","7.6106","0.0001","11.3658","0.0002","23.8383","0.0005","90","","93.826","0.001","90","","2057.43","0.06","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 S2 -","- C18 H25 Fe N7 S2 -","- C72 H100 Fe4 N28 S8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0558","0.0421","","","0.0835","0.0876","","","","","","1.158","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220344","7.6865","0.0002","11.5038","0.0004","24.0051","0.0007","90","","85.856","0.002","90","","2117.08","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 S2 -","- C18 H25 Fe N7 S2 -","- C72 H100 Fe4 N28 S8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal–ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0764","0.0585","","","0.1557","0.1666","","","","","","1.076","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220345","7.668","0.0002","11.4447","0.0002","24.1613","0.0005","90","","93.46","0.001","90","","2116.48","0.08","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 Se2 -","- C18 H25 Fe N7 Se2 -","- C72 H100 Fe4 N28 Se8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal–ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0524","0.0359","","","0.0801","0.0862","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220346","7.7266","0.0003","11.5898","0.0005","24.3459","0.0009","90","","93.458","0.002","90","","2176.2","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 Se2 -","- C18 H25 Fe N7 Se2 -","- C72 H100 Fe4 N28 Se8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.1165","0.046","","","0.0955","0.1191","","","","","","0.959","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220347","7.6664","0.0001","11.6061","0.0002","23.8228","0.0004","90","","96.237","0.001","90","","2107.14","0.06","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Fe2 N14 O S4 -","- C36 H52 Fe2 N14 O S4 -","- C72 H104 Fe4 N28 O2 S8 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0489","0.0355","","","0.0902","0.0971","","","","","","1.06","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220348","7.753","0.0003","11.7757","0.0005","24.0225","0.001","90","","96.556","0.002","90","","2178.84","0.15","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Fe2 N14 O S4 -","- C36 H52 Fe2 N14 O S4 -","- C72 H104 Fe4 N28 O2 S8 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal–ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0549","0.0482","","","0.1334","0.1401","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220349","15.4575","0.0002","11.6172","0.0002","24.5781","0.0002","90","","102.438","0.001","90","","4309.97","0.1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Fe4 N28 O Se8 -","- C72 H102 Fe4 N28 O Se8 -","- C144 H204 Fe8 N56 O2 Se16 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0729","0.0442","","","0.1053","0.1175","","","","","","1.007","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220350","15.5939","0.0003","11.7657","0.0002","24.7536","0.0005","90","","102.373","0.001","90","","4436.13","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Fe4 N28 O Se8 -","- C72 H103 Fe4 N28 O Se8 -","- C144 H206 Fe8 N56 O2 Se16 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0943","0.0477","","","0.1176","0.1367","","","","","","1.027","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220351","12.8229","0.0004","14.7384","0.0005","25.0376","0.0008","90","","91.34","0.0001","90","","4730.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Cu3 Mo24 N32 O84 P2 -","- C16 H36 Cu3 Mo24 N32 O84 P2 -","- C32 H72 Cu6 Mo48 N64 O168 P4 -","2","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0319","0.0289","","","0.1147","0.119","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220352","18.331","0.012","13.2839","0.0009","26.055","0.002","90","","109.215","0.001","90","","5991","4","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C12 H38 Cu2 N24 O47 Si W12 -","- C12 H38 Cu2 N24 O47 Si W12 -","- C48 H152 Cu8 N96 O188 Si4 W48 -","4","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.1271","0.1225","","","0.2812","0.2838","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220353","13.4466","0.0011","13.4785","0.0011","13.8805","0.0012","64.45","0.0001","61.819","0.0001","78.75","0.002","2000.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H29 Cr Cu2 Mo6 N16 O28 -","- C8 H22 Cr Cu2 Mo6 N16 O28 -","- C16 H44 Cr2 Cu4 Mo12 N32 O56 -","2","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0929","0.0532","","","0.143","0.1641","","","","","","1.023","","","","has coordinates","138518","2020-10-21","18:00:00",""
"7220354","10.0148","0.0007","19.0431","0.0014","21.532","0.0015","90","","102.757","0.001","90","","4005.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H32 Cu3 Mo8 N12 O37 -","- C6 H24 Cu3 Mo8 N12 O37 -","- C24 H96 Cu12 Mo32 N48 O148 -","4","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0426","0.037","","","0.1024","0.1054","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220355","8.7273","0.0009","12.8497","0.0009","12.8591","0.001","86.154","0.001","75.879","0.001","75.844","0.001","1356","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H17 Cu3 N12 O18 V5 -","- C6 H14 Cu3 N12 O18 V5 -","- C12 H28 Cu6 N24 O36 V10 -","2","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0488","0.0354","","","0.0901","0.1014","","","","","","1.062","","","","has coordinates","138518","2020-10-21","18:00:00",""
"7220356","14.7921","0.0002","15.0566","0.0002","21.4174","0.0003","90","","99.831","0.001","90","","4700.01","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H37 Mg3 N2 O16 -","- C51 H37 Mg3 N2 O16 -","- C204 H148 Mg12 N8 O64 -","4","1","","Wu, Zhao-Feng; Tan, Bin; Du, Cheng-Feng; Feng, Mei-Ling; Xie, Zai-Lai; Huang, Xiao-Ying","An ionothermally synthesized Mg-based coordination polymer as a precursor for preparing porous carbons","CrystEngComm","2015","17","23","4288","","10.1039/C5CE00591D","","","0.71073","MoKα","","0.0988","0.086","","","0.2218","0.2274","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220357","4.8536","0.0011","7.8906","0.0017","8.8251","0.0019","78.1348","0.0027","86.3966","0.0028","75.122","0.0028","319.65","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C12 H12 N2 O4 Pd -","- C12 H12 N2 O4 Pd -","- C12 H12 N2 O4 Pd -","1","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0282","0.0279","","","0.0668","0.067","","","","","","1.091","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220358","11.6947","0.0009","17.3278","0.0014","9.1324","0.0007","90","","98.167","0.001","90","","1831.9","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag B F4 N2 O5 Pd -","- C13 H16 Ag B F4 N2 O5 Pd -","- C52 H64 Ag4 B4 F16 N8 O20 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0476","0.0418","","","0.1204","0.1242","","","","","","1.132","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220359","11.7013","0.0018","17.518","0.003","9.1703","0.0014","90","","98.006","0.002","90","","1861.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag Cl N2 O9 Pd -","- C13 H16 Ag Cl N2 O9 Pd -","- C52 H64 Ag4 Cl4 N8 O36 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.031","0.025","","","0.0608","0.0657","","","","","","1.033","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220360","9.358","0.004","10.882","0.005","10.968","0.004","116.299","0.006","96.468","0.006","91.599","0.006","991.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","2c","","","- C13 H16 Ag F6 N2 O5 P Pd -","- C13 H16 Ag F6 N2 O5 P Pd -","- C26 H32 Ag2 F12 N4 O10 P2 Pd2 -","2","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0654","0.0592","","","0.1688","0.1765","","","","","","1.091","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220361","9.9183","0.0013","10.7825","0.0014","11.6604","0.0015","65.896","0.002","71.7491","0.0019","88.957","0.002","1072.3","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","6","","","- C14 H14 Ag Cl2 F3 N2 O7 Pd S -","- C14 H14 Ag Cl2 F3 N2 O7 Pd S -","- C28 H28 Ag2 Cl4 F6 N4 O14 Pd2 S2 -","2","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0648","0.0374","","","0.072","0.0838","","","","","","0.992","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7220362","4.6283","0.0008","25.815","0.004","7.8121","0.0013","90","","105.265","0.002","90","","900.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7","","","- C12 H12 Ag2 N4 O10 Pd -","- C12 H12 Ag2 N4 O10 Pd -","- C24 H24 Ag4 N8 O20 Pd2 -","2","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0197","0.018","","","0.0432","0.044","","","","","","1.071","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220363","11.964","0.0016","17.688","0.002","9.108","0.0011","90","","96.437","0.003","90","","1915.3","0.4","320","2","320","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Ag B F4 N2 O5 Pd -","- C13 H16 Ag B F4 N2 O5 Pd -","- C52 H64 Ag4 B4 F16 N8 O20 Pd4 -","4","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0368","0.0322","","","0.1187","0.1291","","","","","","1","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220364","11.915","0.0017","17.722","0.003","9.1692","0.0013","90","","96.44","0.002","90","","1923.9","0.5","320","2","320","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Ag Cl N2 O9 Pd -","- C13 H16 Ag Cl N2 O9 Pd -","- C52 H64 Ag4 Cl4 N8 O36 Pd4 -","4","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0387","0.0359","","","0.1123","0.1194","","","","","","0.986","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220365","11.684","0.0011","17.2956","0.0016","9.1223","0.0009","90","","98.158","0.002","90","","1824.8","0.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag B0.5 Cl0.5 F2 N2 O7 Pd -","- C13 H16 Ag B0.5 Cl0.5 F2 N2 O7 Pd -","- C52 H64 Ag4 B2 Cl2 F8 N8 O28 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0519","0.0412","","","0.0992","0.1063","","","","","","1.06","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220366","25.245","0.003","9.6639","0.001","20.026","0.002","90","","128.93","0.001","90","","3800.6","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N8 Nd2 O32 S Zn4 -","- C20 H4 N8 Nd2 O32 S Zn4 -","- C80 H16 N32 Nd8 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0326","0.0287","","","0.0768","0.0791","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220367","25.1944","0.0017","9.6262","0.0006","19.9847","0.0012","90","","128.905","0.001","90","","3771.7","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N8 O32 S Sm2 Zn4 -","- C20 H4 N8 O32 S Sm2 Zn4 -","- C80 H16 N32 O128 S4 Sm8 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.03","0.0265","","","0.0677","0.0693","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220368","25.1496","0.0013","9.6309","0.0005","20.0039","0.0011","90","","128.937","0.001","90","","3768.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Eu2 N8 O32 S Zn4 -","- C20 H4 Eu2 N8 O32 S Zn4 -","- C80 H16 Eu8 N32 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0249","0.0222","","","0.0585","0.0596","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220369","25.1442","0.0019","9.6068","0.0007","19.9794","0.0014","90","","128.933","0.002","90","","3754.2","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Gd2 N8 O32 S Zn4 -","- C20 H4 Gd2 N8 O32 S Zn4 -","- C80 H16 Gd8 N32 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0263","0.0235","","","0.0619","0.0632","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220370","11.7327","0.0015","17.388","0.002","31.903","0.004","90","","90","","90","","6508.5","1.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H38 O3 -","- C37 H38 O3 -","- C296 H304 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1319","0.0839","","","0.2311","0.2667","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220371","11.719","0.002","17.993","0.004","30.484","0.006","90","","90","","90","","6428","2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 O3 -","- C37 H50 O3 -","- C296 H400 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0676","0.0536","","","0.134","0.1432","","","","","","1.03","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220372","6.5774","0.0013","10.92","0.002","13.999","0.003","84.03","0.03","81.51","0.03","77.91","0.03","969.6","0.4","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C44 H62 O4 -","- C44 H62 O4 -","- C44 H62 O4 -","1","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0419","0.0352","","","0.0823","0.0863","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220373","11.8542","0.0004","12.0125","0.0004","61.234","0.002","90","","90","","90","","8719.6","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H133 O8 -","- C98 H132.999 O8 -","- C392 H531.996 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1167","0.0637","","","0.1384","0.1617","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220374","11.7623","0.0006","12.028","0.0006","61.71","0.003","90","","90","","90","","8730.5","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1088","0.0676","","","0.1643","0.1888","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220375","11.956","0.002","12.023","0.002","60.792","0.012","90","","90","","90","","8739","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1282","0.0769","","","0.1961","0.2276","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220376","16.527","0.011","20.962","0.014","16.969","0.012","90","","106.983","0.01","90","","5622","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H46.5 Cl3.5 Cu N16 O7.5 -","- C42.75 H46.5 Cl3.5 Cu N16 O7.5 -","- C171 H186 Cl14 Cu4 N64 O30 -","4","1","","Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Li, Yan-An; Wang, Ke-Xin; Dong, Yu-Bin","Reversible adsorption and separation of chlorocarbons and BTEX based on Cu(ii)-metal organic framework","CrystEngComm","2015","17","22","4102","","10.1039/C5CE00547G","","","0.71073","MoKα","","0.1348","0.0932","","","0.2646","0.302","","","","","","1.069","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220377","14.5312","0.0002","14.5312","0.0002","18.095","0.0006","90","","90","","90","","3820.86","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C39 H32 Fe Mn2 N10 O5 -","- C39 H32 Fe Mn2 N10 O5 -","- C156 H128 Fe4 Mn8 N40 O20 -","4","0.25","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.7107","MoKα","","0.0375","0.0307","","","0.0776","0.0824","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220378","22.121","0.002","17.3201","0.0005","16.1353","0.0015","90","","135.236","0.018","90","","4353.3","1.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C84 H80 Mn5 N20 O17 -","- C84 H80 Mn5 N20 O17 -","- C168 H160 Mn10 N40 O34 -","2","0.25","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.71073","MoKα","","0.0822","0.066","","","0.1791","0.1894","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220379","26.8212","0.0019","17.721","0.002","10.233","0.0008","90","","90","","90","","4863.7","0.8","140","1","140","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16.5 H17.5 Fe Mn N13 O3.75 -","- C16.5 H17 Fe Mn N13 O3.75 -","- C132 H136 Fe8 Mn8 N104 O30 -","8","2","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.71073","MoKα","","0.0533","0.0492","","","0.1114","0.1141","","","","","","1.036","","","","has coordinates,has disorder","138538","2020-10-21","18:00:00",""
"7220380","14.7874","0.0004","17.9105","0.0005","14.6394","0.0004","90","","90","","90","","3877.24","0.18","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H39 Ag N2 P2 S2 -","- C46 H39 Ag N2 P2 S2 -","- C184 H156 Ag4 N8 P8 S8 -","4","0.5","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","0.71073","MoKα","","0.0666","0.0401","","","0.0768","0.0915","","","","","","1.079","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220381","20.4449","0.0005","20.4449","0.0005","34.6253","0.0009","90","","90","","90","","14473.2","0.6","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C82 H68 Ag2 N2 P4 S2 -","- C82 H68 Ag2 N2 P4 S2 -","- C656 H544 Ag16 N16 P32 S16 -","8","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1221","0.0888","","","0.2519","0.2832","","","","","","1.036","","","","has coordinates,has disorder","138552","2020-10-21","18:00:00",""
"7220382","9.9533","0.0006","14.2851","0.0006","15.24","0.001","93.498","0.004","90.926","0.005","103.226","0.004","2104.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Ag2 N2 P2 S2 -","- C46 H38 Ag2 N2 P2 S2 -","- C92 H76 Ag4 N4 P4 S4 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.0991","0.0796","","","0.2154","0.2533","","","","","","1.01","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220383","14.6363","0.0006","16.8676","0.0005","19.0727","0.001","97.323","0.003","112.344","0.004","94.429","0.003","4278.9","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H79 Ag3 N3 O2 P4 Se3 -","- C88 H78 Ag3 N3 O2 P4 Se3 -","- C176 H156 Ag6 N6 O4 P8 Se6 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.0995","0.0691","","","0.1868","0.2144","","","","","","0.99","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220384","12.2175","0.001","13.7065","0.001","17.1985","0.0015","87.407","0.007","86.817","0.007","69.329","0.007","2689.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H57 Ag N O2 P3 Se -","- C61 H57 Ag N O2 P3 Se -","- C122 H114 Ag2 N2 O4 P6 Se2 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1307","0.0802","","","0.2005","0.239","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220385","11.4611","0.0006","12.624","0.0007","19.6133","0.0013","85.935","0.005","74.285","0.005","71.483","0.005","2589.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H53 Ag N O P3 S -","- C60 H53 Ag N O P3 S -","- C120 H106 Ag2 N2 O2 P6 S2 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1047","0.0844","","","0.2321","0.2586","","","","","","1.077","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220386","6.7352","0.0013","7.5089","0.0015","9.6823","0.0019","90","","90","","90","","489.67","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Cu N7 -","- C H Cu N7 -","- C4 H4 Cu4 N28 -","4","1","","Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong","Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties","CrystEngComm","2015","17","22","4136","","10.1039/C5CE00531K","","","0.71073","MoKα","","0.0173","0.0169","","","0.0397","0.0398","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220387","11.804","0.002","5.7178","0.0011","10.984","0.002","90","","115.84","0.03","90","","667.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C H7 Cu N9 -","- C H7 Cu N9 -","- C4 H28 Cu4 N36 -","4","0.5","","Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong","Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties","CrystEngComm","2015","17","22","4136","","10.1039/C5CE00531K","","","0.71073","MoKα","","0.0336","0.0318","","","0.0893","0.0901","","","","","","1.142","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220388","13.3217","0.0002","11.7975","0.0002","23.3963","0.0005","90","","123.48","0.002","90","","3066.93","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H Cd2 N4 O9 -","- C20 H18 Cd2 N8 O13 -","- C80 H72 Cd8 N32 O52 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0423","0.0382","","","0.0838","0.0862","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220389","21.032","0.002","7.9734","0.0008","12.5404","0.0013","90","","110.192","0.001","90","","1973.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Cd N O7 -","- C6 H8 Cd N2 O7 -","- C48 H64 Cd8 N16 O56 -","8","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0223","0.0209","","","0.0534","0.0543","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220390","15.5653","0.0018","15.3856","0.0018","14.8364","0.0017","90","","109.725","0.001","90","","3344.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Cd2 N7 O15 -","- C27 H29 Cd2 N7 O15 -","- C108 H116 Cd8 N28 O60 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0846","0.0664","","","0.1844","0.203","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220391","10.7212","0.0001","7.7259","0.0001","8.678","0.0001","90","","110.037","0.001","90","","675.298","0.014","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cd N O4 -","- C7 H3 Cd N O4 -","- C28 H12 Cd4 N4 O16 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0255","0.0235","","","0.0596","0.061","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220392","9.1774","0.0008","16.6983","0.0015","14.3375","0.0011","90","","105.865","0.004","90","","2113.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","felodipine:acetone (1:1)","felodipine:acetone (1:1)","","- C21 H25 Cl2 N O5 -","- C21 H25 Cl2 N O5 -","- C84 H100 Cl8 N4 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.0587","0.0397","","","0.0857","0.0929","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220393","7.394","0.0007","11.4991","0.001","29.003","0.002","90","","90","","90","","2466","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","felodipine:acetophenone (1:1)","","","- C26 H27 Cl2 N O5 -","- C26 H27 Cl2 N O5 -","- C104 H108 Cl8 N4 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.0699","0.0531","","","0.1121","0.1186","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220394","8.66","0.003","9.816","0.003","13.782","0.004","87.37","0.02","79.17","0.03","77.79","0.03","1124.6","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","felodipine:dimethylsulfoxide (1:1)","","","- C20 H25 Cl2 N O5 S -","- C20 H25 Cl2 N O5 S -","- C40 H50 Cl4 N2 O10 S2 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.1603","0.0841","","","0.1971","0.242","","","","","","1.044","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220395","14.265","0.005","7.246","0.002","8.86","0.003","90","","90","","90","","915.8","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H11 O3 P -","- C8 H11 O3 P -","- C32 H44 O12 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0249","0.0247","","","0.0586","0.0587","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220396","6.1259","0.0012","13.308","0.003","14.863","0.003","90","","90","","90","","1211.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 O4 P -","- C11 H17 O4 P -","- C44 H68 O16 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0197","0.0197","","","0.0523","0.0524","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220397","21.412","0.005","7.5902","0.0015","18.474","0.004","90","","105.45","0.004","90","","2893.9","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 O5 P -","- C12 H21 O5 P -","- C96 H168 O40 P8 -","8","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0329","0.0322","","","0.087","0.0876","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220398","17.986","0.003","7.8722","0.0011","28.879","0.004","90","","92.107","0.003","90","","4086.2","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 O5 P -","- C11 H19 O5 P -","- C132 H228 O60 P12 -","12","3","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0632","0.0603","","","0.1618","0.1645","","","","","","1.06","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220399","12.989","0.005","9.027","0.004","14.006","0.005","90","","111.738","0.005","90","","1525.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 N O4 P -","- C13 H24 N O4 P -","- C52 H96 N4 O16 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0465","0.042","","","0.09","0.0928","","","","","","1.103","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220400","16.269","0.004","24.011","0.006","18.92","0.005","90","","112.875","0.004","90","","6810","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cu N2 O10 P2 -","- C32 H44 Cu N2 O10 P2 -","- C256 H352 Cu8 N16 O80 P16 -","8","2","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0872","0.0755","","","0.1572","0.1646","","","","","","1.161","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220401","16.398","0.006","23.992","0.008","18.942","0.007","90","","112.576","0.005","90","","6881","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N2 O10 P2 Zn -","- C32 H44 N2 O10 P2 Zn -","- C256 H352 N16 O80 P16 Zn8 -","8","2","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.1115","0.1009","","","0.271","0.2885","","","","","","1.188","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220402","11.9663","0.0017","9.6417","0.0014","23.758","0.003","90","","99.533","0.002","90","","2703.2","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1","","","- C16 H40 Cl3 Cr N4 O2 S2 -","- C16 H40 Cl3 Cr N4 O2 S2 -","- C64 H160 Cl12 Cr4 N16 O8 S8 -","4","2","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.047","0.038","","","0.0887","0.0921","","","","","","1.091","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220403","25.314","0.006","11.006","0.003","14.816","0.004","90","","111.163","0.005","90","","3849.4","1.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","2","","","- C26 H61 Cl6 Cr2 N8 O -","- C26 H61 Cl6 Cr2 N8 O -","- C104 H244 Cl24 Cr8 N32 O4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.1095","0.0676","","","0.1451","0.1684","","","","","","1.001","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220404","11.171","0.004","7.283","0.002","15.335","0.005","90","","101.113","0.005","90","","1224.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","3","","","- C18 H34 Cr N7 O8 -","- C18 H34 Cr N7 O8 -","- C36 H68 Cr2 N14 O16 -","2","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0712","0.0638","","","0.1646","0.1697","","","","","","1.083","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220405","7.1767","0.0005","12.5519","0.0009","14.7649","0.001","100.486","0.0011","93.4647","0.0011","106.358","0.0011","1246.06","0.15","100","2","100","2","","","","","","","","5","P 1","P 1","1","4","","","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","1","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0645","0.0538","","","0.1277","0.1367","","","","","","1.082","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220406","9.503","0.0006","13.741","0.0009","19.6128","0.0013","71.2181","0.0011","83.8466","0.0012","71.8161","0.0011","2303.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","6","","","- C18 H28 Cr N5 O8 -","- C18 H28 Cr N5 O8 -","- C72 H112 Cr4 N20 O32 -","4","4","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0645","0.0512","","","0.1044","0.1144","","","","","","1","","","","has coordinates,has disorder","301865","2025-08-22","16:16:39",""
"7220407","8.287","0.0017","14.806","0.003","21.367","0.004","90","","90","","90","","2621.7","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","7","","","- C19 H30 Cr F6 N4 O5 P -","- C19 H30 Cr F6 N4 O5 P -","- C76 H120 Cr4 F24 N16 O20 P4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0577","0.0451","","","0.1044","0.1134","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220408","10.078","0.002","42.812","0.009","7.2997","0.0016","90","","90","","90","","3149.5","1.1","100","2","100","2","","","","","","","","8","C 2 2 2","C 2 2","21","8","","","- C36 H68 Ag Cr2 F18 N8 O16 P3 -","- C36 H52 Ag Cr2 F18 N8 O16.024 P3 -","- C72 H104 Ag2 Cr4 F36 N16 O32.048 P6 -","2","0.25","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0743","0.0622","","","0.1747","0.188","","","","","","1.087","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220409","11.88","0.007","16.051","0.008","26.14","0.013","90","","90","","90","","4985","5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Cl N2 O3 -","- C29 H24.5 Cl N2 O3 -","- C232 H196 Cl8 N16 O24 -","8","2","","Vivekanand, Thavaraj; Vinoth, Perumal; Agieshkumar, B.; Sampath, Natarajan; Sudalai, Arumugam; Menéndez, J. Carlos; Sridharan, Vellaisamy","Highly efficient regioselective synthesis of pyrroles via a tandem enamine formation‒Michael addition‒cyclization sequence under catalyst- and solvent-free conditions","Green Chem.","2015","17","6","3415","","10.1039/C5GC00365B","","","0.71073","MoKα","","0.2031","0.0466","","","0.0971","0.1327","","","","","","0.869","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7220410","8.6065","0.0001","7.1858","0.0001","11.184","0.0002","90","","110.985","0.001","90","","645.794","0.017","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxy-3-((3-methyl-4-nitroisoxazol-5-yl)methyl)indolin-2-one","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin","“On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones","Green Chem.","2015","17","6","3266","","10.1039/C5GC00503E","","","0.71073","MoKα","","0.0318","0.0308","","","0.0829","0.084","","","","","","0.992","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220411","13.5271","0.0006","7.4112","0.0003","16.501","0.0008","90","","94.763","0.001","90","","1648.55","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(1-(3-ethyl-4-nitroisoxazol-5-yl)ethyl)-3-hydroxy-5-methoxyindolin-2-one","","- C16 H17 N3 O6 -","- C16 H17 N3 O6 -","- C64 H68 N12 O24 -","4","1","","Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin","“On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones","Green Chem.","2015","17","6","3266","","10.1039/C5GC00503E","","","0.71073","MoKα","","0.119","0.0601","","","0.1505","0.183","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220412","6.3186","0.0004","11.7574","0.0008","16.3886","0.0012","90","","95.537","0.007","90","","1211.83","0.14","294.68","0.1","294.68","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-((4-amino-3-methylisoxazol-5-yl)methyl)-3-hydroxyindolin-2-one","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","","Zhang, Yong; Wei, Biao-Wen; Lin, Hui; Zhang, Ling; Liu, Jin-Xiang; Luo, Hai-Qing; Fan, Xiao-Lin","“On water” direct catalytic vinylogous Henry (nitroaldol) reactions of isatins for the efficient synthesis of isoxazole substituted 3-hydroxyindolin-2-ones","Green Chem.","2015","17","6","3266","","10.1039/C5GC00503E","","","0.71073","MoKα","","0.1323","0.0673","","","0.1278","0.1623","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220413","8.1437","0.0016","11.826","0.002","12.4","0.003","73.31","0.03","88.33","0.03","79.7","0.03","1125.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N1,N1-dimethyl-N4,2-ditosylbenzene-1,4-diamine","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C44 H48 N4 O8 S4 -","2","1","","Khazalpour, Sadegh; Nematollahi, Davood","Electrochemical and chemical synthesis of different types of sulfonamide derivatives of N,N-dimethyl-1,4-benzenediamine using 4-nitroso-N,N-dimethylaniline","Green Chem.","2015","17","6","3508","","10.1039/C5GC00438A","","","0.71073","MoKα","","0.0698","0.0526","","","0.1283","0.1333","","","","","","0.816","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220414","9.441","0.005","10.287","0.005","13.246","0.005","100.627","0.005","94.498","0.005","108.144","0.005","1188.7","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N2 O5 -","- C29 H24 N2 O5 -","- C58 H48 N4 O10 -","2","1","","Sarkar, Piyali; Mukhopadhyay, Chhanda","Single step incorporation of carboxylic acid groups in the lower rim of calix[4]arenes: a recyclable catalyst towards assembly of diverse five ring fused acridines","Green Chem.","2015","17","6","3452","","10.1039/C5GC00156K","","","0.71073","MoKα","","0.0525","0.0473","","","0.1212","0.1281","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220415","4.9579","0.001","6.4613","0.0013","10.181","0.002","90","","92.28","0.03","90","","325.88","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 N8 -","- C4 H4 N8 -","- C8 H8 N16 -","2","0.5","","Wu, L.-C.; Chung, W.-C.; Wang, C.-C.; Lee, G.-H.; Lu, S.-I.; Wang, Y.","A charge density study of π-delocalization and intermolecular interactions.","Physical chemistry chemical physics : PCCP","2015","17","21","14177","14184","10.1039/c5cp01575h","","","0.71073","MoKα","","0.0333","0.0283","","","0.0891","0.0941","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:16:39",""
"7220416","3.8538","0.0009","10.179","0.003","13","0.003","97.18","0.05","96.03","0.05","100.6","0.05","493","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","diethyl 4,4'-(octa-1,3,5,7-tetrayne-1,8-diyl)dibenzoate","","- C26 H18 O4 -","- C26 H18 O4 -","- C26 H18 O4 -","1","0.5","","Arendt, Agata; Kołkowski, Radosław; Samoc, Marek; Szafert, Sławomir","Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups.","Physical chemistry chemical physics : PCCP","2015","17","20","13680","13688","10.1039/c5cp01661d","","","0.71073","MoKα","","0.0485","0.0375","","","0.0935","0.0994","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220417","40.449","0.019","3.8627","0.001","11.605","0.003","90","","94.87","0.05","90","","1806.6","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","octa-1,3,5,7-tetrayne-1,8-diylbis(4,1-phenylene) diacetate","","- C24 H14 O4 -","- C24 H14 O4 -","- C96 H56 O16 -","4","0.5","","Arendt, Agata; Kołkowski, Radosław; Samoc, Marek; Szafert, Sławomir","Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups.","Physical chemistry chemical physics : PCCP","2015","17","20","13680","13688","10.1039/c5cp01661d","","","0.71073","MoKα","","0.0702","0.049","","","0.0984","0.108","","","","","","1.073","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220418","14.282","0.004","17.055","0.005","17.128","0.005","60.5","0.008","82.665","0.009","89.096","0.009","3596.1","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","TEMPO bistriflimide","2,2,6,6-tetramethylpiperidin-1-yl-oxonium bis(trifluoromethanesulfonyl)amide","","- C11 H18 F6 N2 O5 S2 -","- C11 H18 F6 N2 O5 S2 -","- C88 H144 F48 N16 O40 S16 -","8","4","","Yao, Wenzhi; Kelley, Steven P.; Rogers, Robin D.; Vaid, Thomas P.","Electrical conductivity in two mixed-valence liquids.","Physical chemistry chemical physics : PCCP","2015","17","21","14107","14114","10.1039/c5cp01172h","","","0.71073","MoKα","","0.1101","0.0497","","","0.1025","0.1275","","","","","","0.965","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220431","7.967","0.0016","27.574","0.006","19.131","0.004","90","","90.23","0.03","90","","4202.7","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 4 in the relevant manuscript","skd175","","- C27 H33 Cl Fe3 N3 O17 -","- C27 H33 Cl Fe3 N3 O17 -","- C108 H132 Cl4 Fe12 N12 O68 -","4","1","","Sabbani, Supriya; Das, Samar K.","Reversible solid to solid transformation in a crystalline state gas‒solid reaction under ambient conditions: Fe‒N(pyridine) bond formation at the expense of Fe‒OH2bond breaking and vice versa","CrystEngComm","2015","17","46","8850","","10.1039/C5CE00488H","","","0.71073","MoKα","","0.2802","0.2369","","","0.5238","0.5415","","","","","","1.722","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220432","8.6812","0.0009","4.9972","0.0006","17.5379","0.0018","90","","97.339","0.006","90","","754.59","0.14","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,13-Dichloropentacene","","- C22 H12 Cl2 -","- C22 H12 Cl2 -","- C44 H24 Cl4 -","2","0.5","","Hatcher, Peggy V.; Reibenspies, Joseph H.; Haddon, Robert C.; Li, Dawen; Lopez, Nereo; Chi, Xiaoliu","A polymorph of the 6,13-dichloropentacene organic semiconductor: crystal structure, semiconductor measurements and band structure calculations","CrystEngComm","2015","17","22","4172","","10.1039/C5CE00300H","","","1.54178","CuKα","","0.0631","0.061","","","0.1502","0.1525","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220433","12.8388","0.0018","12.8388","0.0018","12.6024","0.0017","90","","90","","90","","2077.3","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H62 O5 -","- C46 H56 O5 -","- C92 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0712","0.0617","","","0.1896","0.1998","","","","","","1.156","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220434","12.7797","0.0012","12.7797","0.0012","12.7967","0.0017","90","","90","","90","","2090","0.4","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H64 O6 -","- C46 H56 O6 -","- C92 H112 O12 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0548","0.0454","","","0.1216","0.1316","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220435","12.977","0.002","12.977","0.002","12.563","0.002","90","","90","","90","","2115.6","0.6","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C49 H68 O5 -","- C49 H56 O5 -","- C98 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0789","0.0706","","","0.2095","0.2205","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220436","12.8494","0.0013","12.8494","0.0013","25.11","0.003","90","","90","","90","","4145.8","0.8","100","2","100","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C46.5 H62 O4.5 -","- C46.5 H56 O4.5 -","- C186 H224 O18 -","4","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0693","0.0579","","","0.1849","0.1948","","","","","","1.56","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220437","12.8486","0.0018","12.8486","0.0018","12.6773","0.0018","90","","90","","90","","2092.9","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C47 H64 O5 -","- C47 H56 O5 -","- C94 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0907","0.066","","","0.1881","0.2109","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220438","15.8115","0.0011","15.8115","0.0011","8.2875","0.0012","90","","90","","90","","2071.9","0.4","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C42 H54 O5 S4 -","- C42 H48 O5 S4 -","- C84 H96 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0962","0.0864","","","0.2301","0.2557","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220439","15.7827","0.0007","15.7827","0.0007","8.2365","0.0007","90","","90","","90","","2051.7","0.2","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C41 H52 O5 S4 -","- C41 H48 O5 S4 -","- C82 H96 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.1001","0.0955","","","0.2366","0.2559","","","","","","1.185","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220440","15.7986","0.0009","15.7986","0.0009","8.5474","0.001","90","","90","","90","","2133.4","0.3","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C43 H56 O5 S4 -","- C43 H44 O5 S4 -","- C86 H88 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.1063","0.098","","","0.242","0.263","","","","","","1.132","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220441","23.3664","0.0003","23.3664","0.0003","23.3664","0.0003","90","","90","","90","","12757.8","0.3","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 O14 P2 Zn3 -","- C78 H48 O14 P2 Zn3 -","- C624 H384 O112 P16 Zn24 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.0867","0.0703","","","0.2264","0.2576","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220442","23.7697","0.0004","23.7697","0.0004","23.7697","0.0004","90","","90","","90","","13429.8","0.4","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 Cd3 O14 P2 -","- C78 H48 Cd3 O14 P2 -","- C624 H384 Cd24 O112 P16 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.1314","0.0967","","","0.2967","0.338","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220443","23.3991","0.0004","23.3991","0.0004","23.3991","0.0004","90","","90","","90","","12811.4","0.4","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 Co3 O14 P2 -","- C78 H48 Co3 O14 P2 -","- C624 H384 Co24 O112 P16 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.1747","0.0892","","","0.27","0.325","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220444","23.5428","0.0002","23.5428","0.0002","23.5428","0.0002","90","","90","","90","","13048.9","0.19","173","2","173","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C39 H24 In O7 P -","- C39 H24 In O7 P -","- C624 H384 In16 O112 P16 -","16","0.333333","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.0668","0.0578","","","0.1555","0.1702","","","","","","1.18","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220448","10.264","0.001","10.674","0.001","17.308","0.001","92.084","0.001","103.251","0.001","103.06","0.001","1790.2","0.3","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-cobalt(ii)-di-tungsten(v))","","- C50 H74 Co3 N28 O10 W2 -","- C50 H74 Co3 N28 O10 W2 -","- C50 H74 Co3 N28 O10 W2 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","x-ray","0.71069","MoKα","","0.0246","0.0229","","","0.0569","0.0581","","","","","","1.089","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220449","10.067","0.001","10.714","0.001","17.449","0.0003","93.286","0.001","104.191","0.001","102.986","0.001","1765.3","0.2","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-copper(ii)-di-tungsten(v))","","- C50 H74 Cu3 N28 O10 W2 -","- C50 H74 Cu3 N28 O10 W2 -","- C50 H74 Cu3 N28 O10 W2 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","x-ray","0.71069","MoKα","","0.0358","0.0292","","","0.0656","0.0689","","","","","","1.026","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220450","10.056","0.0003","10.697","0.0003","17.41","0.0005","93.364","0.002","104.168","0.002","102.945","0.002","1756.85","0.09","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-copper(ii)-di-molybdenum(v))","","- C50 H74 Cu3 Mo2 N28 O10 -","- C50 H74 Cu3 Mo2 N28 O10 -","- C50 H74 Cu3 Mo2 N28 O10 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","","0.71073","MoKα","","0.0432","0.032","","","0.0746","0.0801","","","","27.107","27.107","1.046","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220451","9.2862","0.0002","9.2862","0.0002","8.3796","0.0004","90","","90","","90","","722.6","0.04","296","2","296","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- Ca K4 O14 Si4 U -","- Ca K4 O14 Si4 U -","- Ca2 K8 O28 Si8 U2 -","2","0.25","","Morrison, Gregory; Smith, Mark D.; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Synthesis and structure of the new pentanary uranium(vi) silicate, K4CaUSi4O14, a member of a structural family related to fresnoite","CrystEngComm","2015","17","22","4218","","10.1039/C5CE00504C","","","0.71073","MoKα","","0.0321","0.027","","","0.0637","0.0664","","","","","","1.066","","","","has coordinates","138514","2020-10-21","18:00:00",""
"7220452","31.4206","0.0003","31.4206","0.0003","44.8239","0.0005","90","","90","","90","","44252.6","0.8","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C36 H18 Cu3 N9 O15 -","- C36 H18 Cu3 N9 O15 -","- C576 H288 Cu48 N144 O240 -","16","1","","Wang, Xiao-Jun; Li, Jian; Li, Qiu-Yan; Li, Pei-Zhou; Lu, Han; Lao, Qianying; Ni, Rui; Shi, Yanhui; Zhao, Yanli","A urea decorated (3,24)-connected rht-type metal‒organic framework exhibiting high gas uptake capability and catalytic activity","CrystEngComm","2015","17","25","4632","","10.1039/C5CE00625B","","","1.54184","CuKα","","0.0636","0.0554","","","0.1696","0.1772","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220453","17.737","0.002","18.295","0.003","19.069","0.003","90","","92.168","0.002","90","","6183.4","1.6","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2ybc","14","","","","- C77 H67 Cl2 N5 Zn -","- C77 H67 Cl2 N5 Zn -","- C308 H268 Cl8 N20 Zn4 -","4","1","","Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko","Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.","Physical chemistry chemical physics : PCCP","2015","17","22","15001","15011","10.1039/c5cp01420d","","","0.71073","MoKα","","0.0397","0.0331","","","0.0872","0.0916","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220454","19.126","0.002","17.2247","0.0018","19.215","0.002","90","","93.303","0.002","90","","6319.7","1.1","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C71 H76 N4 O5 Zn -","- C71 H76 N4 O5 Zn -","- C284 H304 N16 O20 Zn4 -","4","1","","Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko","Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.","Physical chemistry chemical physics : PCCP","2015","17","22","15001","15011","10.1039/c5cp01420d","","","0.71073","MoKα","","0.1637","0.1176","","","0.2997","0.3252","","","","","","1.137","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220455","16.724","0.013","16.971","0.014","20.045","0.016","107.054","0.011","107.58","0.01","105.011","0.012","4793","7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H21 F12 N5 Zn -","- C53 H21 F12 N5 Zn -","- C212 H84 F48 N20 Zn4 -","4","2","","Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko","Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.","Physical chemistry chemical physics : PCCP","2015","17","22","15001","15011","10.1039/c5cp01420d","","","0.71073","MoKα","","0.189","0.0835","","","0.1802","0.2096","","","","","","0.838","","","","has coordinates","138873","2020-10-21","18:00:00",""
"7220474","28.406","0.002","15.1613","0.0011","19.2086","0.0016","90","","99.473","0.009","90","","8159.8","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H48 Br8 Fe2 N8 O -","- C88 H48 Br8 Fe2 N8 O -","- C352 H192 Br32 Fe8 N32 O4 -","4","0.5","","Hou, Yuxia; Zhu, Yingzhong; Sun, Junshan; Zhang, Xiaomei; Tian, Yupeng; Jiang, Jianzhuang","Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]","CrystEngComm","2015","17","25","4699","","10.1039/C5CE00759C","","","0.71073","MoKα","","0.1736","0.0808","","","0.1855","0.2229","","","","","","0.999","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220475","14.2862","0.0011","15.307","0.003","19.102","0.003","90","","94.637","0.008","90","","4163.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H29.5 Br4 Cl Fe N4.75 O0.75 -","- C44 H24 Br4 Cl Fe N4 -","- C176 H96 Br16 Cl4 Fe4 N16 -","4","1","","Hou, Yuxia; Zhu, Yingzhong; Sun, Junshan; Zhang, Xiaomei; Tian, Yupeng; Jiang, Jianzhuang","Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]","CrystEngComm","2015","17","25","4699","","10.1039/C5CE00759C","","","1.54178","CuKα","","0.024","0.0221","","","0.0541","0.0556","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220483","7.7237","0.0005","10.2576","0.0006","13.6801","0.0008","78.32","0.002","84.144","0.002","76.52","0.002","1030.43","0.11","123.15","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O4 S -","- C20 H22 I N O4 S -","- C40 H44 I2 N2 O8 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0729","0.0637","","","0.1517","0.1615","","","","","","0.9894","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220484","7.4692","0.0004","15.9898","0.0009","18.4114","0.0011","110.533","0.002","91.966","0.002","94.712","0.002","2047.5","0.2","","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O3.5 S -","- C20 H22 I N O3.5 S -","- C80 H88 I4 N4 O14 S4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0612","0.0582","","","0.1366","0.1421","","","","","","1.0103","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220485","7.484","0.005","10.197","0.007","14.512","0.01","94.449","0.01","103.752","0.011","105.623","0.01","1024","1.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O3.4 S -","- C20 H22 I N O3.4 S -","- C40 H44 I2 N2 O6.8 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0407","0.0319","","","0.074","0.0783","","","","","","1.0314","","","","has coordinates,has disorder","143418","2020-10-21","18:00:00",""
"7220486","7.808","0.004","10.354","0.006","13.78","0.007","93.69","0.02","103.61","0.02","105.59","0.02","1033.2","1","","","103.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 I2 N O7 S2 -","- C40 H44 I2 N2 O7 S2 -","- C40 H44 I2 N2 O7 S2 -","1","0.5","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","1.54178","CuKα","","0.1565","0.0871","","","0.1902","0.228","","","","","","1.1164","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220487","7.564","0.004","10.338","0.005","14.496","0.007","93.619","0.005","104.077","0.005","105.686","0.005","1048.4","0.9","","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 I N O3.5 S -","- C20 H16 I N O3.5 S -","- C40 H32 I2 N2 O7 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0797","0.0696","","","0.1629","0.1682","","","","","","1.0319","","","","has coordinates,has disorder","143418","2020-10-21","18:00:00",""
"7220504","8.7922","0.0006","14.9186","0.0008","13.4193","0.001","90","","120.13","0.005","90","","1522.35","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cu N2 O5 -","- C15 H11 Cu N2 O5 -","- C60 H44 Cu4 N8 O20 -","4","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0411","0.0372","","","0.0897","0.0922","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220505","26.424","0.014","9.529","0.004","19.889","0.011","90","","124.468","0.008","90","","4129","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H17 Cu2 N2 O8.5 -","- C20.5 H15.5 Cu2 N2 O8.5 -","- C164 H124 Cu16 N16 O68 -","8","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0421","0.035","","","0.0876","0.0922","","","","","","1.073","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220506","13.5914","0.0006","12.6315","0.0007","18.4809","0.0009","90","","90","","90","","3172.8","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H29 Cu N6 O9 -","- C29 H23 Cu N6 O9 -","- C116 H92 Cu4 N24 O36 -","4","0.5","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0598","0.0561","","","0.1504","0.154","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220507","23.182","0.011","12.61","0.005","17.333","0.008","90","","130.001","0.007","90","","3881","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cu2 N4 O12 -","- C34 H34 Cu2 N4 O12 -","- C136 H136 Cu8 N16 O48 -","4","0.5","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0335","0.0304","","","0.0812","0.0826","","","","","","1.058","","","","has coordinates","143369","2020-10-21","18:00:00",""
"7220508","12.725","0.005","18.008","0.008","13.521","0.006","90","","90","","90","","3098","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H15.5 Cu0.5 N2.5 O3 -","- C16 H12.5 Cu0.5 N2.5 O3 -","- C128 H100 Cu4 N20 O24 -","8","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0599","0.0483","","","0.1104","0.1191","","","","","","1.074","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220509","7.751","0.002","12.916","0.003","14.603","0.004","83.875","0.006","88.192","0.007","74.126","0.006","1398.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu N4 O7.5 -","- C25 H24 Cu N4 O7.5 -","- C50 H48 Cu2 N8 O15 -","2","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0876","0.0596","","","0.1708","0.192","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220510","20.9247","0.0095","20.9247","0.0095","6.4","","90","","90","","120","","2426.8","1.6","298","","298","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H45 Cu3 N9 O5 -","- C33 H21 Cu3 N6 O4 -","- C66 H42 Cu6 N12 O8 -","2","0.0833333","","Tăbăcaru, Aurel; Galli, Simona; Pettinari, Claudio; Masciocchi, Norberto; McDonald, Thomas M.; Long, Jeffrey R.","Nickel(ii) and copper(i,ii)-based metal-organic frameworks incorporating an extended tris-pyrazolate linker","CrystEngComm","2015","17","27","4992","","10.1039/C5CE00561B","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","143422","2020-10-21","18:00:00",""
"7220511","12.499","0.003","15.4","0.004","17.164","0.004","79.589","0.003","74.873","0.003","81.892","0.003","3121.4","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methyl-pryogallol[4]arene with rhodamine B","","","- C65 H82 N2 O20 -","- C65 H82 N2 O20 -","- C130 H164 N4 O40 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0938","0.0519","","","0.1128","0.1326","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220512","12.6309","0.0014","15.1204","0.0017","16.9812","0.0019","80.807","0.001","75.354","0.001","79.911","0.001","3066.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methylpyrogallol[4]arene with rhodamine B","","","- C66 H80 N2 O18 -","- C66 H80 N2 O18 -","- C132 H160 N4 O36 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0814","0.0583","","","0.1574","0.1774","","","","","","1.037","","","","has coordinates,has disorder","301865","2025-08-22","16:16:40",""
"7220513","12.4659","0.0007","15.6276","0.0008","17.6068","0.0009","69.247","0.002","75.581","0.003","78.539","0.003","3083.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with rhodamine B","","","- C68 H86 N2 O19 -","- C68 H82 N2 O19 -","- C136 H164 N4 O38 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","1.54178","CuKα","","0.0665","0.0581","","","0.1597","0.1697","","","","","","1.031","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220514","33.748","0.004","12.5218","0.0013","31.831","0.003","90","","102.816","0.001","90","","13116","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-propylpyrogallol[4]arene with rhodamine B","","","- C71 H90.25 N2 O18.5 -","- C71 H86.25 N2 O18.5 -","- C568 H690 N16 O148 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0805","0.0578","","","0.1577","0.1742","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220515","12.407","0.003","15.969","0.003","18.498","0.004","79.532","0.003","71.722","0.003","80.076","0.003","3395.9","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene","","","- C72 H94 N2 O19 -","- C72 H94 N2 O19 -","- C144 H188 N4 O38 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.1579","0.0834","","","0.2403","0.3073","","","","","","1.046","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220516","33.339","0.011","12.549","0.004","31.947","0.011","90","","105.02","0.005","90","","12909","7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-propylpyrogallol[4]arene with rhodamine B","","","- C69 H84.5 N2.5 O17.5 -","- C69 H79.5 N2.5 O17.5 -","- C552 H636 N20 O140 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.127","0.0839","","","0.2358","0.2875","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220517","40.0943","0.0008","17.9485","0.0004","31.3076","0.0008","90","","90","","90","","22530","0.9","100","2","100","2","","","","","","","","4","C m c a","-C 2ac 2","64","C-methylpyrogallol[4]arene with pyronin Y","","","- C50.35 H68.5 N1.5 O21.85 -","- C50.25 H61.5 N1.5 O21.75 -","- C804 H984 N24 O348 -","16","","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","1.54178","CuKα","","0.1373","0.1235","","","0.4038","0.4302","","","","","","2.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220518","14.103","0.002","14.457","0.002","15.357","0.003","63.031","0.002","69.038","0.002","84.764","0.002","2596.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","C-ethylpyrogallol[4]arene with pyronin Y","","","- C55 H65 Cl2 N2 O14 -","- C55 H65 Cl2 N2 O14 -","- C110 H130 Cl4 N4 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.1358","0.0921","","","0.2178","0.2498","","","","","","1.036","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220519","14.3619","0.0004","24.7111","0.0006","15.9255","0.0004","90","","109.14","0.003","90","","5339.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.25 H42.75 N2.25 O11 Zn2 -","- C54 H38 N2 O10 Zn2 -","- C216 H152 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.0761","0.0468","","","0.1034","0.1142","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220520","14.1639","0.0005","25.2402","0.0007","15.9077","0.0007","90","","111.043","0.004","90","","5307.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.25 H40.75 N2.25 O10 Zn2 -","- C54 H38 N2 O10 Zn2 -","- C216 H152 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1176","0.0769","","","0.1806","0.2013","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220521","14.934","0.003","24.781","0.004","16.383","0.003","90","","109.435","0.004","90","","5717.5","1.8","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66.25 H47.75 N2.25 O11.25 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1129","0.1051","","","0.2715","0.2791","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220522","14.5426","0.0006","25.0252","0.0007","16.5912","0.0007","90","","109.841","0.005","90","","5679.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H45.25 N2.25 O10 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1297","0.099","","","0.2479","0.2645","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220523","14.7573","0.0007","24.3576","0.0007","17.9206","0.001","90","","117.685","0.003","90","","5704.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H45.25 N2.25 O10 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1221","0.0762","","","0.1942","0.2237","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220524","8.5607","0.001","14.1023","0.0017","20.294","0.002","88.5392","0.0017","86.4998","0.0015","81.2519","0.0016","2416.7","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Gd4 N6 O45 -","- C24 H42 Gd4 N6 O45 -","- C48 H84 Gd8 N12 O90 -","2","1","","Ingram, Conrad W.; Kibakaya, Geoffrey; Bacsa, John; Mathis,II, Stephan R.; Holder, Alvin A.; Rambaran, Varma H.; Dennis, Brandon; Castaneda, Esmeralda; Robbins, Julianne S.; John Zhang, Z.","Complex three-dimensional lanthanide metal‒organic frameworks with variable coordination spheres based on pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2015","17","29","5377","","10.1039/C4CE02564D","","","0.71073","MoKα","","0.069","0.057","","","0.1455","0.1516","","","","","","1.056","","","","has coordinates","153122","2020-10-21","18:00:00",""
"7220525","8.5627","0.0015","14.078","0.003","20.297","0.004","88.568","0.003","86.325","0.004","81.382","0.003","2413.8","0.8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 N6 O45 Tb4 -","- C24 H35 N6 O45 Tb4 -","- C48 H70 N12 O90 Tb8 -","2","1","","Ingram, Conrad W.; Kibakaya, Geoffrey; Bacsa, John; Mathis,II, Stephan R.; Holder, Alvin A.; Rambaran, Varma H.; Dennis, Brandon; Castaneda, Esmeralda; Robbins, Julianne S.; John Zhang, Z.","Complex three-dimensional lanthanide metal‒organic frameworks with variable coordination spheres based on pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2015","17","29","5377","","10.1039/C4CE02564D","","","0.71073","MoKα","","0.2457","0.1347","","","0.2557","0.2983","","","","","","0.971","","","","has coordinates","153122","2020-10-21","18:00:00",""
"7220526","5.69647","0.00005","5.69647","0.00005","11.3394","0.0002","90","","90","","90","","367.961","0.008","293","","293","","","","","","","","","4","I -4 2 m","I -4 2","121","CZTSe","Copper Zinc Tin selenide","","- Cu2 Se4 Sn Zn -","- Cu2 Se4 Sn Zn -","- Cu4 Se8 Sn2 Zn2 -","2","0.125","","Choubrac, Léo; Lafond, Alain; Paris, Michaël; Guillot-Deudon, Catherine; Jobic, Stéphane","The stability domain of the selenide kesterite photovoltaic materials and NMR investigation of the Cu/Zn disorder in Cu2ZnSnSe4 (CZTSe).","Physical chemistry chemical physics : PCCP","2015","17","23","15088","15092","10.1039/c5cp01709b","","x-ray","0.71069","MoKα","","0.0363","0.0275","","","0.0994","0.109","","","","1.77","1.77","1.86","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220546","10.651","0.001","10.802","0.001","12.528","0.001","97.671","0.004","92.238","0.004","110.803","0.003","1329.5","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[FeL5i(azpy)]","","","- C28 H26 Fe N6 O6 -","- C28 H26 Fe N6 O6 -","- C56 H52 Fe2 N12 O12 -","2","1","","Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit","1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature","CrystEngComm","2015","17","29","5389","","10.1039/C5CE00800J","","","0.71069","MoKα","","0.0557","0.0356","","","0.0754","0.0801","","","","","","0.923","","","","has coordinates","153120","2020-10-21","18:00:00",""
"7220547","17.134","0.002","16.762","0.002","21.725","0.004","90","","90.206","0.015","90","","6239.4","1.6","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[FeL5b(azpy)].0,5azpy","","","- C33 H30 Fe N8 O4 -","- C33 H30 Fe N8 O4 -","- C264 H240 Fe8 N64 O32 -","8","1","","Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit","1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature","CrystEngComm","2015","17","29","5389","","10.1039/C5CE00800J","","","0.71069","MoKα","","0.0815","0.0485","","","0.1019","0.111","","","","","","0.922","","","","has coordinates","153120","2020-10-21","18:00:00",""
"7220551","17.679","0.005","27.134","0.007","6.9113","0.0018","90","","94.222","0.008","90","","3306.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H44 Cd N4 O16 -","- C24 H43 Cd N4 O16 -","- C96 H172 Cd4 N16 O64 -","4","0.5","","Maity, Kartik; Kundu, Tanay; Banerjee, Rahul; Biradha, Kumar","One-dimensional water cages with repeat units of (H2O)24resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes","CrystEngComm","2015","17","24","4439","","10.1039/C5CE00969C","","","0.71073","MoKα","","0.0516","0.043","","","0.1306","0.1455","","","","","","0.916","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220552","10.149","0.0005","10.2936","0.0005","13.6107","0.0007","104.922","0.004","109.154","0.005","95.153","0.004","1274.01","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Cd2 N8 O14 -","- C50 H48 Cd2 N8 O14 -","- C50 H48 Cd2 N8 O14 -","1","0.5","","Maity, Kartik; Kundu, Tanay; Banerjee, Rahul; Biradha, Kumar","One-dimensional water cages with repeat units of (H2O)24resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes","CrystEngComm","2015","17","24","4439","","10.1039/C5CE00969C","","","0.71073","MoKα","","0.0411","0.0373","","","0.0785","0.0801","","","","","","1.45","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220553","14.9067","0.0004","9.467","0.0003","18.6466","0.0005","90","","108.471","0.002","90","","2495.88","0.13","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl N2 O3 -","- C27 H33 Cl N2 O3 -","- C108 H132 Cl4 N8 O12 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0559","0.0454","","","0.119","0.1249","","","","2","2","1.86","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220554","9.9394","0.0006","9.3964","0.0008","28.5819","0.0017","90","","98.318","0.005","90","","2641.3","0.3","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl N O4 -","- C28 H38 Cl N O4 -","- C112 H152 Cl4 N4 O16 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0578","0.0447","","","0.1158","0.1246","","","","1.62","1.62","1.53","","","","has coordinates,has disorder","301865","2025-08-22","16:16:40",""
"7220555","13.654","0.002","9.739","0.0014","18.621","0.002","90","","106.609","0.012","90","","2372.8","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cl N O4 -","- C26 H34 Cl N O4 -","- C104 H136 Cl4 N4 O16 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0553","0.0467","","","0.12","0.1259","","","","1.91","1.91","1.8","","","","has coordinates,has disorder","301865","2025-08-22","16:16:40",""
"7220556","9.9289","0.0003","9.429","0.0003","26.8357","0.001","90","","97.556","0.003","90","","2490.53","0.14","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl N2 O5 -","- C26 H33 Cl N2 O5 -","- C104 H132 Cl4 N8 O20 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0587","0.0506","","","0.1305","0.1368","","","","1.93","1.93","1.82","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220557","15.1562","0.0007","9.536","0.0003","18.8677","0.0008","90","","109.782","0.004","90","","2566.02","0.19","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Cl N2 O3 -","- C28 H35 Cl N2 O3 -","- C112 H140 Cl4 N8 O12 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0488","0.0416","","","0.1108","0.1158","","","","1.92","1.92","1.83","","","","has coordinates,has disorder","301865","2025-08-22","16:16:40",""
"7220558","39.7859","0.0005","6.9575","0.0001","17.1898","0.0004","90","","100.099","0.0014","90","","4684.6","0.14","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl N O4.5 -","- C25 H33 Cl N O4.5 -","- C200 H264 Cl8 N8 O36 -","8","2","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0511","0.0457","","","0.1199","0.1254","","","","1.97","1.97","1.91","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220559","19.1988","0.0007","13.1107","0.0003","9.5387","0.0003","90","","98.175","0.003","90","","2376.59","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl N O5 -","- C25 H34 Cl N O5 -","- C100 H136 Cl4 N4 O20 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0409","0.0362","","","0.0958","0.0988","","","","1.62","1.62","1.56","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220560","14.2221","0.0011","5.7852","0.0005","7.3262","0.0006","90","","114.168","0.002","90","","549.95","0.08","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Mo O5 Pb2 -","- Mo O5 Pb2 -","- Mo4 O20 Pb8 -","4","0.5","","Atuchin, V. V.; Ivannikova, N. V.; Komonov, A. I.; Kuratieva, N. V.; Loshkarev, I. D.; Pervukhina, N. V.; Pokrovsky, L. D.; Shlegel, V. N.","The low thermal gradient Czochralski crystal growth and microstructural properties of a Pb2MoO5(20−1) cleaved surface","CrystEngComm","2015","17","24","4512","","10.1039/C5CE00309A","","","0.71073","MoKα","","0.0358","0.0336","","","0.0834","0.0851","","","","","","1.036","","","","has coordinates","143398","2020-10-21","18:00:00",""
"7220561","4.8695","0.0004","5.7118","0.0003","5.4416","0.0004","90","","117.468","0.006","90","","134.289","0.018","298","","298","","4.275","0.015","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.409","","","","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220562","5.0092","0.0006","5.9924","0.0006","5.4976","0.0005","90","","115.298","0.01","90","","149.2","0.03","298","","298","","0.547","0.016","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.106","","","","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220563","8.7022","0.0003","8.952","0.0003","12.6698","0.0006","106.807","0.004","90.983","0.003","110.054","0.002","880.1","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 Cu5 O33 -","- C16 H25 Cu5 O33 -","- C16 H25 Cu5 O33 -","1","0.5","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","0.71073","MoKα","","0.047","0.0342","","","0.0812","0.0871","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220564","6.234","0.0012","11.118","0.002","11.948","0.002","86.78","0.03","79.95","0.03","83.01","0.03","808.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 Cu2 O15 -","- C8 H10 Cu2 O15 -","- C16 H20 Cu4 O30 -","2","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","0.7383","","","0.0719","0.0615","","","0.1767","0.1912","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220565","7.9815","0.0005","14.4504","0.0006","10.2757","0.0006","90","","90","","90","","1185.16","0.11","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H2 Cu O6 -","- C4 H2 Cu O6 -","- C32 H16 Cu8 O48 -","8","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.54184","CuKα","","0.0692","0.0571","","","0.145","0.1578","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220566","18.6107","0.0005","18.6107","0.0005","4.8022","0.0003","90","","90","","90","","1663.28","0.12","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H20 Cu2 O16 -","- C8 H20 Cu2 O16 -","- C32 H80 Cu8 O64 -","4","0.25","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.5418","CuKα","","0.0314","0.0299","","","0.0788","0.0805","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220567","8.0007","0.0008","11.0476","0.0009","14.0408","0.0011","110.768","0.008","96.37","0.008","97.671","0.007","1133.12","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 Cu4 O21 -","- C16 H8 Cu4 O21 -","- C32 H16 Cu8 O42 -","2","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.5418","CuKα","","0.0614","0.0498","","","0.1359","0.149","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220568","25.786","0.005","21.045","0.004","7.4123","0.0015","90","","90","","90","","4022.4","1.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28.5 H25.5 Cd2 Cl N9.5 O8.5 -","- C27 H18 Cd2 Cl N9 O6 -","- C108 H72 Cd8 Cl4 N36 O24 -","4","0.5","","Zhu, Ai-Xin; Qiu, Zhen-Zhe; Yang, Li-Bo; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Li, Qiu-Xia","A luminescent cadmium(ii) metal‒organic framework based on a triazolate‒carboxylate ligand exhibiting selective gas adsorption and guest-dependent photoluminescence properties","CrystEngComm","2015","17","26","4787","","10.1039/C5CE00405E","","","0.71073","MoKα","","0.0643","0.0523","","","0.1243","0.1287","","","","","","1.123","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220573","10.056","0.01","15.875","0.016","9.709","0.009","90","","115.617","0.015","90","","1398","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O7 -","- C12 H13 N3 O7 -","- C48 H52 N12 O28 -","4","1","","Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Assembly, growth and nonlinear thermo-optical properties of nitropeptides.","Physical chemistry chemical physics : PCCP","2015","17","26","16983","16990","10.1039/c5cp02218e","","","0.71073","MoKα","","0.127","0.0889","","","0.2625","0.249","","","","","","1.106","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220574","4.895","0.002","12.127","0.012","27.29","0.01","90","","90","","90","","1620","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N3 O9 -","- C13 H13 N3 O9 -","- C52 H52 N12 O36 -","4","1","","Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Assembly, growth and nonlinear thermo-optical properties of nitropeptides.","Physical chemistry chemical physics : PCCP","2015","17","26","16983","16990","10.1039/c5cp02218e","","","0.71073","MoKα","","0.1727","0.0807","","","0.0986","0.1295","","","","","","1.167","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220575","8.759","0.004","12.834","0.005","30.603","0.013","90","","90","","90","","3440","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N3 O9 -","- C14 H15 N3 O9 -","- C112 H120 N24 O72 -","8","2","","Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Assembly, growth and nonlinear thermo-optical properties of nitropeptides.","Physical chemistry chemical physics : PCCP","2015","17","26","16983","16990","10.1039/c5cp02218e","","","0.71073","MoKα","","0.0581","0.0501","","","0.1406","0.1528","","","","","","0.962","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220580","5.9327","0.0001","8.3874","0.0001","11.5697","0.0001","90","","90","","90","","575.707","0.013","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 Cl2 F N S -","- C2 Cl2 F N S -","- C8 Cl8 F4 N4 S4 -","4","1","","Berrueta Martínez, Y; Rodríguez Pirani, L S; Erben, M. F.; Reuter, C. G.; Vishnevskiy, Y. V.; Stammler, H. G.; Mitzel, N. W.; Della Védova, C O","The structure of chloromethyl thiocyanate, CH2ClSCN, in gas and crystalline phases.","Physical chemistry chemical physics : PCCP","2015","17","24","15805","15812","10.1039/c5cp01968k","","","0.71073","MoKα","","0.0234","0.0225","","","0.0558","0.0566","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220594","16.269","0.002","20.73","0.003","14.9828","0.0019","90","","90","","90","","5053","1.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H11 Cu N3 O5 -","- C17 H11 Cu N3 O5 -","- C136 H88 Cu8 N24 O40 -","8","1","","Liu, Huiyan; Wang, Qian; Zhang, Mingxing; Jiang, Jingjing","A (3,6)-connected metal‒organic framework with high CH4binding affinity and uptake capacity","CrystEngComm","2015","17","26","4793","","10.1039/C5CE00612K","","","0.71073","MoKα","","0.0738","0.0471","","","0.112","0.1189","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220595","16.337","0.003","11.925","0.002","14.007","0.003","90","","100.84","0.03","90","","2680.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N6 O9 S Zn -","- C6 H8 N6 O9 S Zn -","- C48 H64 N48 O72 S8 Zn8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0489","0.0376","","","0.0782","0.083","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220596","6.6953","0.0013","8.7758","0.0018","10.028","0.002","64.41","0.03","76.36","0.03","82.37","0.03","516.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 N5 O5 S Zn0.5 -","- C6 H6 N5 O5 S Zn0.5 -","- C12 H12 N10 O10 S2 Zn -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0221","0.0217","","","0.056","0.0564","","","","","","1.059","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220597","6.7656","0.0006","8.7886","0.0007","10.0635","0.0008","64.603","0.005","76.394","0.005","82.581","0.005","525.11","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Co0.5 N5 O5 S -","- C6 H6 Co0.5 N5 O5 S -","- C12 H12 Co N10 O10 S2 -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0528","0.0338","","","0.0642","0.0701","","","","","","0.937","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220598","13.8786","0.0008","13.6808","0.0006","16.6792","0.0011","90","","112.229","0.003","90","","2931.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Cu0.5 N5 O6 S -","- C9 H12 Cu0.5 N5 O6 S -","- C72 H96 Cu4 N40 O48 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0456","0.0385","","","0.0992","0.1066","","","","","","1.067","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220599","10.269","0.002","15.04","0.003","15.004","0.003","90","","100.71","0.03","90","","2276.9","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Mn0.5 N5 O6 S -","- C6 H8 Mn0.5 N5 O6 S -","- C48 H64 Mn4 N40 O48 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.063","0.0597","","","0.1867","0.1906","","","","","","1.09","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220600","10.184","0.002","16.442","0.003","14.923","0.003","90","","99.55","0.03","90","","2464.2","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cl Co0.5 N4 O7 S -","- C6 H8 Cl Co0.5 N4 O7 S -","- C48 H64 Cl8 Co4 N32 O56 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.086","0.0537","","","0.1016","0.1122","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220601","9.6762","0.0005","23.2403","0.0015","16.8723","0.0011","90","","101.63","0.004","90","","3716.3","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl N4 O11 S Zn -","- C11 H13 Cl N4 O11 S Zn -","- C88 H104 Cl8 N32 O88 S8 Zn8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.048","0.0322","","","0.0873","0.0964","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220602","6.6171","0.0004","10.0019","0.0006","10.9248","0.0007","64.702","0.003","80.817","0.004","88.608","0.004","644.54","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Cd N10 O2 S -","- C6 H6 Cd N10 O2 S -","- C12 H12 Cd2 N20 O4 S2 -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0239","0.0226","","","0.0613","0.0625","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220603","9.3444","0.0019","17.647","0.004","7.356","0.0015","90","","90","","90","","1213","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H3 Mn0.5 N5 O S0.5 -","- C3 H3 Mn0.5 N5 O S0.5 -","- C24 H24 Mn4 N40 O8 S4 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.026","0.023","","","0.0565","0.0576","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220604","17.052","0.003","10.831","0.002","12.777","0.003","90","","119.06","0.03","90","","2062.7","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl0 N4 Ni0.5 O4 S1.5 -","- C6 H6 N4 Ni0.5 O4 S1.5 -","- C48 H48 N32 Ni4 O32 S12 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0562","0.0389","","","0.0847","0.0904","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220605","18.592","0.004","8.3621","0.0017","19.857","0.004","90","","100.14","0.03","90","","3038.9","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Cd N2 O8 S0.5 -","- C13 H9 Cd N2 O8 S0.5 -","- C104 H72 Cd8 N16 O64 S4 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0543","0.039","","","0.0804","0.0858","","","","","","1.046","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220606","10.906","0.003","14.095","0.003","14.294","0.003","90","","105.16","0.012","90","","2120.8","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Ni5 S10 -","- C10 H20 Ni5 S10 -","- C40 H80 Ni20 S40 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.0656","0.0413","","","0.0713","0.0792","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220607","10.7","0.008","14.844","0.01","15.567","0.01","66.82","0.06","75.32","0.06","72.64","0.06","2143","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H132 Ni6 S12 -","- C60 H132 Ni6 S12 -","- C60 H132 Ni6 S12 -","1","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.1673","0.0821","","","0.1361","0.164","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220608","15.028","0.017","23.16","0.02","13.417","0.014","90","","90","","90","","4670","8","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H60 Ni6 S12 -","- C28 H60 Ni6 S12 -","- C112 H240 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.103","0.0754","","","0.1878","0.21","","","","","","1.064","","","","has coordinates,has disorder","301865","2025-08-22","16:16:40",""
"7220609","11.621","0.002","12.8025","0.0018","14.234","0.002","90","","103.641","0.01","90","","2058","0.5","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C32 H36 Ni6 S12 -","- C32 H36 Ni6 S12 -","- C64 H72 Ni12 S24 -","2","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.0816","0.0547","","","0.1374","0.1659","","","","","","1.144","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220610","11.997","0.007","14.36","0.009","26.228","0.016","90","","90","","90","","4518","5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H44 Ni6 S12 -","- C36 H44 Ni6 S12 -","- C144 H176 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.1122","0.0697","","","0.1708","0.1998","","","","","","1.095","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220611","17.0393","0.0006","17.8176","0.0006","20.2468","0.0007","112.788","0.003","97.045","0.003","90.308","0.003","5614.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H60 N8 Nd3 O19.5 -","- C46.5 H58 N8 Nd3 O19 -","- C186 H232 N32 Nd12 O76 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1129","0.0875","","","0.2228","0.2401","","","","","","1.028","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220612","16.8042","0.0007","17.6752","0.0006","19.4071","0.0011","69.39","0.004","82.993","0.004","89.895","0.003","5349.8","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H57 N8 O18.5 Tb3 -","- C44 H47 N8 O16 Tb3 -","- C176 H188 N32 O64 Tb12 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1396","0.0884","","","0.2148","0.2518","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220613","16.7829","0.0007","17.6513","0.0006","19.3643","0.0011","69.388","0.004","83.013","0.004","89.894","0.003","5324.2","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H57 Dy3 N8 O18.5 -","- C44 H47 Dy3 N8 O16 -","- C176 H188 Dy12 N32 O64 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1218","0.0772","","","0.195","0.2272","","","","","","0.99","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220614","9.4831","0.0004","10.3029","0.0004","12.9928","0.0005","86.142","0.003","87.7","0.003","76.628","0.003","1231.83","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 N6 Nd O9 S -","- C18 H23 N6 Nd O9 S -","- C36 H46 N12 Nd2 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0285","0.0238","","","0.0523","0.0551","","","","","","1.053","","","","has coordinates,has disorder","301865","2025-08-22","16:16:40",""
"7220615","9.4373","0.0005","10.2862","0.0006","12.9039","0.0006","85.73","0.004","88.061","0.004","76.723","0.005","1215.59","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 N6 O9 S Tb -","- C18 H23 N6 O9 S Tb -","- C36 H46 N12 O18 S2 Tb2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0345","0.0281","","","0.0542","0.0572","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220616","9.421","0.002","10.2707","0.0017","12.909","0.002","85.595","0.014","87.715","0.016","76.894","0.016","1212.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Dy N6 O9 S -","- C18 H23 Dy N6 O9 S -","- C36 H46 Dy2 N12 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0386","0.035","","","0.0868","0.0901","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220617","9.3532","0.0007","10.1772","0.0004","12.8201","0.0005","85.678","0.003","87.922","0.004","76.71","0.005","1184.05","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Er N6 O9 S -","- C18 H23 Er N6 O9 S -","- C36 H46 Er2 N12 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0265","0.0239","","","0.0541","0.0556","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220618","18.114","0.0003","15.7015","0.0002","22.3234","0.0003","90","","97.683","0.002","90","","6292.16","0.16","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H28 Cl Dy N8 O6.5 -","- C30.5 H28 Cl Dy N8 O6.5 -","- C244 H224 Cl8 Dy8 N64 O52 -","8","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0553","0.037","","","0.0744","0.0826","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220620","29.139","0.018","8.292","0.006","22.798","0.015","90","","94.97","0.011","90","","5488","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 N3 O7 Zn -","- C28 H23 N3 O7 Zn -","- C224 H184 N24 O56 Zn8 -","8","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.0936","0.0527","","","0.127","0.1458","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220621","9.3089","0.0006","50.079","0.003","14.5655","0.0009","90","","107.953","0.001","90","","6459.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H54 N10 O9 Zn2 -","- C76 H54 N10 O9 Zn2 -","- C304 H216 N40 O36 Zn8 -","4","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1526","0.061","","","0.1374","0.1802","","","","","","1.038","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220622","21.485","0.005","18.709","0.004","21.225","0.004","90","","118.707","0.004","90","","7483","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H54 N6 O17 Zn2 -","- C66 H54 N6 O17 Zn2 -","- C264 H216 N24 O68 Zn8 -","4","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.182","0.0781","","","0.2116","0.2716","","","","","","0.984","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220623","14.3887","0.0018","15.538","0.002","17.003","0.002","87.718","0.003","65.714","0.002","76.845","0.003","3367.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 N10 O12 Zn2 -","- C76 H54 N10 O12 Zn2 -","- C152 H108 N20 O24 Zn4 -","2","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.2109","0.0798","","","0.1798","0.2577","","","","","","0.964","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220624","14.2642","0.0017","42.291","0.005","9.6129","0.0011","90","","90","","90","","5799","1.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C136 H98 N10 O28 Zn5 -","- C136 H98 N10 O28 Zn5 -","- C272 H196 N20 O56 Zn10 -","2","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1478","0.0849","","","0.2249","0.2709","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220625","10.6126","0.0014","13.057","0.0016","18.873","0.002","77.782","0.002","81.567","0.002","73.826","0.002","2444.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H84 N16 O13 Zn2 -","- C92 H84 N16 O14 Zn2 -","- C92 H84 N16 O14 Zn2 -","1","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.137","0.0766","","","0.2134","0.2394","","","","","","1.019","","","","has coordinates,has disorder","153115","2020-10-21","18:00:00",""
"7220626","28.327","0.004","6.0289","0.0008","29.409","0.004","90","","107.892","0.003","90","","4779.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 N4 O10 Zn -","- C58 H42 N4 O10 Zn -","- C232 H168 N16 O40 Zn4 -","4","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1328","0.0554","","","0.1234","0.1666","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220627","16.668","0.006","16.256","0.006","28.596","0.01","90","","90","","90","","7748","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H26 N5 O4 Zn -","- C30 H26 N5 O4 Zn -","- C240 H208 N40 O32 Zn8 -","8","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.17","0.0611","","","0.1328","0.1617","","","","","","0.84","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220628","14.7273","0.0016","34.677","0.004","8.2504","0.0009","90","","104.498","0.002","90","","4079.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N7 O6 Zn -","- C44 H36 N7 O6 Zn -","- C176 H144 N28 O24 Zn4 -","4","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.165","0.1139","","","0.297","0.325","","","","","","1.119","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220629","12.671","0.0008","12.671","0.0008","13.1674","0.0009","90","","90","","90","","2114.1","0.2","","","295","","","","","","","","","7","P -4 2 c","P -4 2c","112","Ge-BEC as synthesized","","","- C22 H60.4 F0.4 Ge5.1 N6 O66 Si26.9 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","1","0.125","","Smeets, S.; Koch, L.; Mascello, N.; Sesseg, J.; McCusker, L. B.; Hernández-Rodríguez, M.; Mitchell, S.; Pérez-Ramírez, J.","Structure analysis of a BEC-type germanosilicate zeolite including the location of the flexible organic cations in the channels","CrystEngComm","2015","17","26","4865","","10.1039/C5CE00731C","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220630","10.2375","0.0009","4.5168","0.0005","14.7924","0.0013","90","","107.394","0.008","90","","652.73","0.11","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Harscoat-Schiavo, C.; Neurohr, C.; Lecomte, S.; Marchivie, M.; Subra-Paternault, P.","Influence of isomerism on recrystallization and cocrystallization induced by CO2as an antisolvent","CrystEngComm","2015","17","29","5410","","10.1039/C5CE00753D","","","1.54187","CuKα","","0.102","0.0699","","","0.1718","0.23","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:16:40",""
"7220631","6.5122","0.0006","27.61","0.02","14.0669","0.0013","90","","102.55","0.009","90","","2468.8","1.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase alpha","5,6-dimethylbenzimidazole phase alpha","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2578","0.1192","","","0.3185","0.4008","","","","","","1.187","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220632","6.4776","0.0007","27.51","0.03","14.0381","0.0015","90","","102.456","0.01","90","","2443","3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase alpha","5,6-dimethylbenzimidazole phase alpha","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2476","0.1177","","","0.317","0.3922","","","","","","1.197","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220633","6.5011","0.001","27.23","0.02","13.949","0.002","90","","102.615","0.015","90","","2409.7","1.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2814","0.1163","","","0.2809","0.3944","","","","","","1.01","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220634","6.538","0.003","26.99","0.14","13.93","0.005","90","","102.68","0.04","90","","2398","13","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H9.67 N2 -","- C9 H9.66667 N2 -","- C108 H116 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2291","0.0883","","","0.2049","0.2909","","","","","","1.011","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220635","6.487","0.002","26.63","0.12","13.831","0.004","90","","102.5","0.03","90","","2333","11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1776","0.073","","","0.1559","0.2103","","","","","","1.043","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220636","7.5684","0.001","12.432","0.002","34.803","0.004","90","","90","","90","","3274.6","0.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Xcalibur","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1719","0.0772","","","0.1504","0.1999","","","","","","1.077","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220637","7.2661","0.0015","12.407","0.008","34.55","0.005","90","","90","","90","","3115","2","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1586","0.0848","","","0.2067","0.2753","","","","","","1.027","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220638","7.173","0.003","12.383","0.005","34.439","0.004","90","","90","","90","","3059","1.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.56087","AgKα","","0.2145","0.0933","","","0.2169","0.2891","","","","","","1.014","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220639","7.04","0.002","12.334","0.004","34.323","0.003","90","","90","","90","","2980.3","1.3","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.129","0.0696","","","0.1817","0.2223","","","","","","1.029","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220640","6.9376","0.0016","12.228","0.003","34.174","0.002","90","","90","","90","","2899.1","1","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1104","0.0698","","","0.1839","0.2223","","","","","","1.086","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220641","12.8185","0.001","14.0656","0.0011","11.5956","0.0009","90","","112.133","0.001","90","","1936.6","0.3","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1beta","1,2-bis(9-anthryl)acetylene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","0.5","","Goldstein, Rebecca I.; Guo, Rui; Hughes, Conor; Maurer, Daniel P.; Newhouse, Timothy R.; Sisto, Thomas J.; Conry, Rebecca R.; Price, Sarah L.; Thamattoor, Dasan M.","Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene","CrystEngComm","2015","17","26","4877","","10.1039/C5CE00745C","","","0.71073","MoKα","","0.0611","0.0485","","","0.1391","0.153","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220642","12.388","0.003","5.0693","0.0011","15.112","0.003","90","","94.269","0.003","90","","946.4","0.4","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","1aplha","1,2-bis(9-anthryl)acetylene","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","0.5","","Goldstein, Rebecca I.; Guo, Rui; Hughes, Conor; Maurer, Daniel P.; Newhouse, Timothy R.; Sisto, Thomas J.; Conry, Rebecca R.; Price, Sarah L.; Thamattoor, Dasan M.","Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene","CrystEngComm","2015","17","26","4877","","10.1039/C5CE00745C","","","0.71073","MoKα","","0.0825","0.053","","","0.134","0.1595","","","","","","1.013","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220643","11.1497","0.0005","13.5201","0.0005","14.2594","0.0007","75.358","0.004","74.28","0.004","83.906","0.003","2000.3","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Eu F9 O11 S -","- C35 H32 Eu F9 O11 S -","- C70 H64 Eu2 F18 O22 S2 -","2","1","","Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei","Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes.","Physical chemistry chemical physics : PCCP","2015","17","24","16136","16144","10.1039/c5cp01392e","","","0.71073","MoKα","","0.0741","0.0468","","","0.111","0.1314","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220644","22.453","0.002","23.9254","0.0014","19.4634","0.0017","90","","122.737","0.012","90","","8794.9","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H66 Eu2 F18 O22 S4 -","- C74 H66 Eu2 F18 O22 S4 -","- C296 H264 Eu8 F72 O88 S16 -","4","0.5","","Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei","Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes.","Physical chemistry chemical physics : PCCP","2015","17","24","16136","16144","10.1039/c5cp01392e","","","0.71073","MoKα","","0.1087","0.0659","","","0.1658","0.2059","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220659","8.2953","0.0002","10.6258","0.0005","12.4574","0.0004","83.389","0.006","81.479","0.003","84.419","0.004","1075.11","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Cl2 Cu Hg3 N8 O10 -","- C34 H38 Cl2 Cu Hg3 N8 O10 -","- C34 H38 Cl2 Cu Hg3 N8 O10 -","1","0.5","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.0786","0.0371","","","0.0791","0.1087","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220660","8.02","0.0005","14.212","0.0006","14.6203","0.0007","104.84","0.003","97.235","0.003","93.608","0.005","1590.12","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","1","0.5","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.0977","0.0531","","","0.11","0.1341","","","","","","1.072","","","","has coordinates,has disorder","153121","2020-10-21","18:00:00",""
"7220661","10.5149","0.0011","12.0894","0.0012","29.347","0.003","90","","92.74","0.008","90","","3726.3","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B2 Cu2 F8 Hg2 N6 O2 -","- C26 H32 Cu2 Hg2 N6 O2 -","- C104 H128 Cu8 Hg8 N24 O8 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.243","0.0564","","","0.1156","0.1723","","","","","","0.629","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220662","14.6075","0.0013","8.1508","0.0012","15.9817","0.001","90","","94.662","0.007","90","","1896.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Hg N2 O2 -","- C22 H18 Hg N2 O2 -","- C88 H72 Hg4 N8 O8 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.1268","0.0593","","","0.0889","0.1134","","","","","","0.923","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220663","19.15","0.004","10.919","0.002","14.603","0.003","90","","90","","90","","3053.5","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H14 Hg N2 O3 -","- C16 H14 Hg N2 O3 -","- C128 H112 Hg8 N16 O24 -","8","2","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.105","0.0505","","","0.095","0.1148","","","","","","1.036","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220664","26.22","0.005","9.0815","0.0018","10.654","0.002","90","","90","","90","","2536.9","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Hg2 N4 O3 -","- C26 H22 Hg2 N4 O3 -","- C104 H88 Hg8 N16 O12 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.1178","0.0518","","","0.0836","0.1043","","","","","","0.867","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220675","9.6476","0.0006","10.2117","0.0007","16.4488","0.0011","107.366","0.001","95.221","0.001","99.914","0.001","1505.97","0.17","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Fe2 N5 O10 -","- C33 H21 Fe2 N5 O10 -","- C66 H42 Fe4 N10 O20 -","2","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.037","0.0331","","","0.0931","0.0959","","","","","","1.043","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220676","7.6476","0.0005","12.1053","0.0007","16.8248","0.001","90","","98.488","0.002","90","","1540.52","0.16","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C33 H21 Cu N5 O10 -","- C33 H21 Cu N5 O10 -","- C66 H42 Cu2 N10 O20 -","2","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0911","0.0645","","","0.1411","0.1531","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220677","24.5299","0.0012","12.3443","0.0006","31.5597","0.0015","90","","100.337","0.001","90","","9401.3","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H76 Co3 N18 O24 -","- C90 H64 Co3 N18 O24 -","- C360 H256 Co12 N72 O96 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0682","0.0549","","","0.1671","0.1804","","","","","","1.107","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220678","10.898","0.002","12.605","0.003","28.807","0.006","90","","96.326","0.004","90","","3933.1","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H31 Co2 N9 O9 -","- C45 H31 Co2 N9 O9 -","- C180 H124 Co8 N36 O36 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0628","0.0412","","","0.104","0.1243","","","","","","1.084","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220679","17.6549","0.0009","16.6017","0.0007","19.0614","0.0009","90","","112.771","0.002","90","","5151.5","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H47 Mn2 N13 O12 -","- C57 H47 Mn2 N13 O12 -","- C228 H188 Mn8 N52 O48 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0457","0.0367","","","0.0859","0.091","","","","","","1.045","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220680","8.886","0.002","18.133","0.004","13.793","0.003","90","","106.672","0.004","90","","2129","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N5 S2 Zn -","- C18 H19 N5 S2 Zn -","- C72 H76 N20 S8 Zn4 -","4","1","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.1072","0.0871","","","0.239","0.2597","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220681","9.1391","0.0005","9.3535","0.0006","22.769","0.001","97.837","0.002","91.624","0.002","96.775","0.002","1912.76","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N9 O0.5 Zn -","- C16 H19 N9 O0.5 Zn -","- C64 H76 N36 O2 Zn4 -","4","2","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.0493","0.0349","","","0.093","0.1004","","","","","","1.067","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220682","10.5195","0.0006","12.7921","0.0007","13.6828","0.0008","62.887","0.002","68.064","0.002","87.976","0.003","1499.82","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Cl N5 Ni O5 S -","- C29 H28 Cl N5 Ni O5 S -","- C58 H56 Cl2 N10 Ni2 O10 S2 -","2","1","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.0803","0.0466","","","0.1188","0.1401","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220683","7.1589","0.0012","10.1414","0.0012","12.8984","0.0016","67.555","0.012","73.912","0.013","78.022","0.012","826.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Cl2 Cu N2 O6 -","- C16 H12 Cl2 Cu N2 O6 -","- C32 H24 Cl4 Cu2 N4 O12 -","2","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.1121","0.089","","","0.2181","0.2511","","","","","","1.016","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220684","7.8516","0.0002","9.3769","0.0002","11.8132","0.0003","97.965","0.001","108.633","0.001","111.107","0.001","736.53","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cl Cu N5 O -","- C16 H10 Cl Cu N5 O -","- C32 H20 Cl2 Cu2 N10 O2 -","2","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.0261","0.024","","","0.0649","0.0662","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220685","18.2712","0.0004","10.8166","0.0004","18.3726","0.0006","90","","110.64","0.002","90","","3397.96","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl Cu N2 O3 -","- C18 H17 Cl Cu N2 O3 -","- C144 H136 Cl8 Cu8 N16 O24 -","8","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.0292","0.0252","","","0.0692","0.0719","","","","","","0.935","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220686","7.534","0.003","10.682","0.004","16.411","0.005","90","","102.32","0.03","90","","1290.3","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C48 H48 N16 O8 -","4","1","","Ershov, O. V.; Ievlev, M. Yu.; Tafeenko, V. A.; Nasakin, O. E.","Glycine catalyzed diastereoselective domino-synthesis of 6-imino-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitriles in water","Green Chem.","2015","17","8","4234","","10.1039/C5GC00909J","","","1.54184","CuKα","","0.0494","0.0438","","","0.1216","0.1269","","","","","","1.045","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220691","6.155","0.0019","7.64","0.0018","23.508","0.007","96.36","0.03","91.92","0.03","94.01","0.03","1095","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(4-butyloxyacetophenon)azine","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Centore, Roberto; Capitolino, Valeria; Cerciello, Francesca; Tuzi, Angela; Borbone, Fabio; Carella, Antonio; Roviello, Antonio","A topotactic transition in a liquid crystal compound","CrystEngComm","2015","17","46","8864","","10.1039/C5CE00660K","","x-ray","0.71069","MoKα","","0.1056","0.0629","","","0.1608","0.1905","","","","","","1.026","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220694","9.4289","0.0005","9.4465","0.0005","19.5338","0.001","77.352","0.003","86.44","0.003","64.489","0.002","1531.11","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 B2 N2 O2 -","- C78 H78 B2 N2 O2 -","- C78 H78 B2 N2 O2 -","1","0.5","","Liu, Zhaodi; Hao, Fuying; Xu, Huajie; Wang, Hui; Wu, Jieying; Tian, Yupeng","A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon absorption properties and application to biological imaging","CrystEngComm","2015","17","29","5562","","10.1039/C5CE00816F","","","0.71073","MoKα","","0.0919","0.0832","","","0.2114","0.2159","","","","","","1.222","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220695","10.1025","0.0002","12.953","0.0003","21.3753","0.0004","104.286","0.001","99.437","0.001","102.3","0.001","2578.22","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H70 Eu2 F24 N2 O18 S8 -","- C94 H70 Eu2 F24 N2 O18 S8 -","- C94 H70 Eu2 F24 N2 O18 S8 -","1","0.5","","Liu, Zhaodi; Hao, Fuying; Xu, Huajie; Wang, Hui; Wu, Jieying; Tian, Yupeng","A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon absorption properties and application to biological imaging","CrystEngComm","2015","17","29","5562","","10.1039/C5CE00816F","","","0.71073","MoKα","","0.0703","0.0556","","","0.153","0.165","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220696","8.6147","0.0006","16.5484","0.0012","9.3691","0.0007","90","","93.617","0.001","90","","1332.99","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cd N12 O8 -","- C22 H22 Cd N12 O8 -","- C44 H44 Cd2 N24 O16 -","2","0.5","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0573","0.041","","","0.1037","0.1604","","","","","","1.188","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220697","11.5527","0.0012","26.816","0.003","15.4979","0.0016","90","","109.134","0.002","90","","4536","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Cd pyim2 PF6","","","- C34 H46 Cd F12 N14 O4 P2 -","- C34 H46 Cd F12 N14 O4 P2 -","- C136 H184 Cd4 F48 N56 O16 P8 -","4","1","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0735","0.0513","","","0.121","0.158","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220698","9.979","0.005","10.302","0.005","15.743","0.005","80.924","0.005","73.374","0.005","65.235","0.005","1406.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Zn-pyim2 td","","","- C22 H18 F12 N10 P2 Zn -","- C22 H18 F12 N10 P2 Zn -","- C44 H36 F24 N20 P4 Zn2 -","2","1","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71069","MoKα","","0.0582","0.0423","","","0.0925","0.1368","","","","","","1.168","","","","has coordinates","173737","2020-10-21","18:00:00",""
"7220699","11.915","0.003","8.1768","0.0018","15.913","0.004","90","","106.617","0.004","90","","1485.6","0.6","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","Cd pyim2 PF6 NO3","","","- C22 H26 Cd F6 N11 O7 P -","- C22 H26 Cd F6 N11 O7 P -","- C44 H52 Cd2 F12 N22 O14 P2 -","2","0.5","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0476","0.0365","","","0.0833","0.1151","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220700","7.3233","0.0007","9.6646","0.0009","10.3323","0.0012","78.588","0.009","80.835","0.009","85.796","0.008","707.02","0.13","293","","293","2","","","","","","","","4","P -1","-P 1","2","mmimpic","1-methyl-3-butylimidazoliumpicrate","","- C11 H11 N5 O7 -","- C11 H11 N5 O7 -","- C22 H22 N10 O14 -","2","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen","Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding.","Physical chemistry chemical physics : PCCP","2015","17","27","18167","18177","10.1039/c5cp01944c","","","0.71073","MoKα","","0.1117","0.0653","","","0.1412","0.1668","","","","","","1.027","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7220701","6.6831","0.0007","10.6065","0.001","11.8839","0.0009","73.513","0.007","87.771","0.007","75.787","0.008","782.59","0.13","293","2","293","","","","","","","","","4","P -1","-P 1","2","pmimpic","1-Propyl-3-methylimidazoliumpicrate","","- C13 H15 N5 O7 -","- C13 H15 N5 O7 -","- C26 H30 N10 O14 -","2","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen","Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding.","Physical chemistry chemical physics : PCCP","2015","17","27","18167","18177","10.1039/c5cp01944c","","","0.71073","MoKα","","0.1449","0.0638","","","0.0989","0.1329","","","","","","1.013","","","","has coordinates","143767","2020-10-21","18:00:00",""
"7220726","22.103","0.003","19.932","0.003","15.101","0.002","90","","130.848","0.002","90","","5032.5","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N6 O22 S4 Zn -","- C42 H48 N6 O22 S4 Zn -","- C168 H192 N24 O88 S16 Zn4 -","4","0.5","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1685","0.089","","","0.2462","0.3006","","","","","","1.017","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220727","8.2928","0.0016","11.423","0.002","12.436","0.002","101.262","0.002","103.547","0.002","96.798","0.002","1106.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Cd N3 O8 S2 -","- C21 H17 Cd N3 O8 S2 -","- C42 H34 Cd2 N6 O16 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0436","0.0364","","","0.0837","0.0883","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220728","36.038","0.012","19.963","0.007","8.853","0.003","90","","95.622","0.006","90","","6338","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H73 Ag N3 O36 S2 -","- C21 H13 Ag N3 O9 S2 -","- C168 H104 Ag8 N24 O72 S16 -","8","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.2738","0.1036","","","0.2613","0.3455","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220729","7.38","0.005","20.931","0.013","16.474","0.009","90","","110.8","0.02","90","","2379","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Ag N3 O10 S2 -","- C21 H16 Ag N3 O10 S2 -","- C84 H64 Ag4 N12 O40 S8 -","4","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1779","0.087","","","0.1999","0.2569","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220730","8.538","0.003","10.962","0.005","12.083","0.005","87.664","0.007","85.159","0.008","81.961","0.008","1115.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Ag2 N3 O6 S2 -","- C21 H13 Ag2 N3 O6 S2 -","- C42 H26 Ag4 N6 O12 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1042","0.0638","","","0.168","0.2","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220731","10.8904","0.0007","12.8137","0.0009","17.386","0.0011","105.159","0.001","94.273","0.001","94.113","0.001","2324.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Ag4 N6 O17 S4 -","- C42 H36 Ag4 N6 O17 S4 -","- C84 H72 Ag8 N12 O34 S8 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0878","0.0595","","","0.1697","0.2007","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220732","8.352","0.0011","11.7428","0.0016","12.3408","0.0016","100.67","0.002","101.093","0.002","97.04","0.002","1151.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 N3 O8 Pb S2 -","- C21 H17 N3 O8 Pb S2 -","- C42 H34 N6 O16 Pb2 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0314","0.0281","","","0.0677","0.0689","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220733","13.784","0.003","14.323","0.003","13.791","0.003","90","","91.018","0.004","90","","2722.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O12 Pb S2 -","- C21 H25 N3 O12 Pb S2 -","- C84 H100 N12 O48 Pb4 S8 -","4","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.109","0.0493","","","0.1019","0.1219","","","","","","1","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220734","13.77","0.002","13.77","0.002","59.621","0.009","90","","90","","90","","11305","3","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C21 H19 K N4 O12 Pb S2 -","- C21 H13 K N4 O12 Pb S2 -","- C336 H208 K16 N64 O192 Pb16 S32 -","16","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1494","0.0801","","","0.2108","0.2468","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220735","6.9472","","8.1805","","12.1722","","91.1412","","103.873","","104.55","","647.678","","","","298","","","","","","","","","5","P 1","P 1","1","DUT-8(Ni) close phase","","","- C30 H24 N2 Ni2 O8 -","- C30 H24 N2 Ni2 O8 -","- C30 H24 N2 Ni2 O8 -","1","1","","Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan","Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.","Physical chemistry chemical physics : PCCP","2015","17","26","17471","17479","10.1039/c5cp02180d","powder diffraction","","1.5406","CukΑ","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220736","20.446","","16.4661","","9.3532","","90","","94.0138","","90","","3141.18","","","","169","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","C2H4@DUT-8(Ni)","","","- C54 H72 N2 Ni2 O8 -","- C54 H72 N2 Ni2 O8 -","- C108 H144 N4 Ni4 O16 -","2","0.5","","Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan","Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.","Physical chemistry chemical physics : PCCP","2015","17","26","17471","17479","10.1039/c5cp02180d","powder diffraction","","1.5406","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220737","9.4778","","11.0657","","12.6936","","101.544","","92.0654","","100.59","","1278.46","","","","185","","","","","","","","","5","P 1","P 1","1","DUT-8(Ni) ip1","","","- C48 H78 N2 Ni2 O8 -","- C48 H78 N2 Ni2 O8 -","- C48 H78 N2 Ni2 O8 -","1","1","","Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan","Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.","Physical chemistry chemical physics : PCCP","2015","17","26","17471","17479","10.1039/c5cp02180d","powder diffraction","","1.5406","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220745","9.874","0.0001","13.6348","0.0001","19.5627","0.0002","90","","91.566","0.0005","90","","2632.74","0.04","153","","153","","","","","","","","dichloromethane","3","P 1 21/c 1","-P 2ybc","14","","octadehydrotribenzo[14]annulene","","- C34 H20 O8 -","- C34 H20 O8 -","- C136 H80 O32 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Tohnai, Norimitsu; Miyata, Mikiji","Gelation or crystallization? Subtle balance of structural factors for assembly of DBA derivatives with methyl esters","CrystEngComm","2015","17","42","8079","","10.1039/C5CE00778J","","","0.8","synchrotron","","0.049","0.0486","","","0.1341","0.1345","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220746","21.2337","0.0004","7.9464","0.00014","25.6281","0.0005","90","","90","","90","","4324.27","0.14","153","","153","","","","","","","","ethyl acetate","3","P n a 21","P 2c -2n","33","","octadehydrotribenzo[14]annulene","","- C30 H16 O4 -","- C30 H16 O4 -","- C240 H128 O32 -","8","2","","Hisaki, Ichiro; Kometani, Eriko; Tohnai, Norimitsu; Miyata, Mikiji","Gelation or crystallization? Subtle balance of structural factors for assembly of DBA derivatives with methyl esters","CrystEngComm","2015","17","42","8079","","10.1039/C5CE00778J","","","1.54187","CuKα","","0.1475","0.0771","","","0.1756","0.2489","","","","","","1.078","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220753","13.157","0.0013","4.9083","0.0004","16.1242","0.0016","90","","113.135","0.003","90","","957.54","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.0723","0.0455","","","0.0932","0.1027","","","","","","0.996","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220754","13.076","0.006","4.887","0.002","18.998","0.009","90","","106.417","0.011","90","","1164.5","0.9","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O6 -","- C26 H29 N O6 -","- C52 H58 N2 O12 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.1548","0.1269","","","0.3191","0.3389","","","","","","1.141","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220755","18.64","0.016","5.992","0.005","18.841","0.015","90","","98.834","0.016","90","","2079","3","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.6889","","","0.0389","0.037","","","0.0886","0.0907","","","","","","1.106","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220756","11.5165","0.0009","33.108","0.003","15.349","0.0014","90","","103.074","0.006","90","","5700.7","0.9","90","","90","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H35 N O5 Zn -","- C55 H35 N O5 Zn -","- C220 H140 N4 O20 Zn4 -","4","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","1.54178","CuKα","","0.0816","0.0747","","0.1986","0.1941","0.1986","","","","","","0.9929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220757","17.128","0.008","35.003","0.016","11.62","0.005","90","","119.498","0.006","90","","6064","5","90","","90","","","","","","","","synthesized","4","C 1 2/m 1","-C 2y","12","","","","- C26 H15 O2.5 Zn0.5 -","- C26 H15 O2.5 Zn0.5 -","- C208 H120 O20 Zn4 -","8","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","0.71073","MoKα","","0.1135","0.0904","","0.2537","0.2208","0.2537","","","","","","0.9876","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220758","17.2471","0.0019","18.932","0.003","21.34","0.002","88.588","0.01","73.431","0.007","66.759","0.008","6106.1","1.4","90","","90","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C117 H71 N4 O12 Zn2.5 -","- C117 H71 N4 O12 Zn2.5 -","- C234 H142 N8 O24 Zn5 -","2","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","1.54178","CuKα","","0.2095","0.1673","","0.3903","0.3658","0.3903","","","","","","0.9888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220763","8.697","0.006","25.05","0.017","11.638","0.008","90","","104.01","0.01","90","","2460","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Cl2 Cu4 N4 O30 -","- C32 H26 Cl2 Cu4 N4 O30 -","- C64 H52 Cl4 Cu8 N8 O60 -","2","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0466","0.0378","","","0.1074","0.1118","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220764","12.0276","0.0011","5.2148","0.0004","17.8366","0.0016","90","","91.773","0.001","90","","1118.2","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Ag2(L)(NO3)]-(H2O)","","- C8 H8 Ag2 N2 O8 -","- C8 H8 Ag2 N2 O8 -","- C32 H32 Ag8 N8 O32 -","4","1","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0404","0.0388","","","0.099","0.1005","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220765","4.5139","0.0003","11.3181","0.0007","20.4554","0.0014","90","","90","","90","","1045.04","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N2 O7 Pb -","- C8 H6 N2 O7 Pb -","- C32 H24 N8 O28 Pb4 -","4","1","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0363","0.0327","","","0.0739","0.0762","","","","","","0.953","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220766","24.044","0.003","10.7102","0.0014","16.138","0.002","90","","110.264","0.002","90","","3898.6","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Br2 N4 O18 Pb3 -","- C32 H28 Br2 N4 O18 Pb3 -","- C128 H112 Br8 N16 O72 Pb12 -","4","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0735","0.0658","","","0.2075","0.2161","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220767","10.5744","0.0005","39.183","0.003","9.2768","0.0005","90","","90","","90","","3843.7","0.4","108","2","108","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 N3 O13 Pr -","- C16 H16 N3 O13 Pr -","- C128 H128 N24 O104 Pr8 -","8","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.026","0.0249","","","0.0617","0.0626","","","","","","1.095","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220795","12.7448","0.001","12.7563","0.0009","16.1414","0.0012","78.129","0.001","74.374","0.001","83.622","0.001","2468.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H80 O106 Pr2 Sb2 W18 -","- Fe4 O106 Pr2 Sb2 W18 -","- Fe4 O106 Pr2 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0613","0.0522","","","0.1337","0.1393","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220796","12.7304","0.0005","13.0108","0.0005","15.9909","0.0006","75.315","0.001","74.399","0.001","76.075","0.001","2425.05","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 O112 Sb2 Tb2 W18 -","- Fe4 O112 Sb2 Tb2 W18 -","- Fe4 O112 Sb2 Tb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0399","0.0365","","","0.0923","0.0942","","","","","","1.043","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220797","12.7569","0.0012","13.068","0.0012","16.02","0.0015","75.273","0.001","74.405","0.001","75.971","0.001","2444","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Dy2 Fe4 H92 O112 Sb2 W18 -","- Dy2 Fe4 O112 Sb2 W18 -","- Dy2 Fe4 O112 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0566","0.0503","","","0.1271","0.1312","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220798","12.7131","0.0016","12.9743","0.0017","15.96","0.002","75.09","0.002","74.312","0.002","75.818","0.002","2405.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 Lu2 O112 Sb2 W18 -","- Fe4 Lu2 O112 Sb2 W18 -","- Fe4 Lu2 O112 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0522","0.0432","","","0.1106","0.1157","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220799","12.7178","0.0005","13.005","0.0005","15.9829","0.0006","75.204","0.001","74.375","0.001","75.946","0.001","2418","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 O112 Sb2 W18 Y2 -","- Fe4 O112 Sb2 W18 Y2 -","- Fe4 O112 Sb2 W18 Y2 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0599","0.0549","","","0.145","0.1493","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220800","22.5048","0.0015","13.6765","0.0009","30.833","0.002","90","","97.187","0.001","90","","9415.4","1.1","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Cu Mo18 N12 O79 P6 Sr -","- C30 H60 Cu Mo18 N12 O79 P6 Sr -","- C120 H240 Cu4 Mo72 N48 O316 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0716","0.0438","","","0.0906","0.1091","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220801","22.585","0.012","13.697","0.007","30.282","0.015","90","","97.645","0.008","90","","9284","8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Fe Mo18 N12 O79 P6 Sr -","- C30 H60 Fe Mo18 N12 O79 P6 Sr -","- C120 H240 Fe4 Mo72 N48 O316 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71","MoKα","","0.0769","0.0514","","","0.087","0.1096","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220802","22.948","0.012","13.853","0.007","30.672","0.015","90","","97.682","0.008","90","","9663","8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Mo18 N12 O82 P6 Sr Zn -","- C30 H66 Mo18 N12 O82 P6 Sr Zn -","- C120 H264 Mo72 N48 O328 P24 Sr4 Zn4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0653","0.046","","","0.0959","0.1109","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220803","22.648","0.007","13.534","0.004","30.225","0.009","90","","97.733","0.005","90","","9180","5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Mo18 N12 Ni O82 P6 Sr -","- C30 H66 Mo18 N12 Ni O82 P6 Sr -","- C120 H264 Mo72 N48 Ni4 O328 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0652","0.0514","","","0.101","0.092","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220804","23.293","0.016","14.056","0.01","31.34","0.02","90","","97.651","0.012","90","","10170","12","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 Co Mo18 N12 O80 P6 Sr -","- C30 H62 Co Mo18 N12 O80 P6 Sr -","- C120 H248 Co4 Mo72 N48 O320 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.051","0.0386","","","0.0898","0.0953","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220808","7.9698","0.0004","9.7137","0.0005","10.377","0.0005","116.863","0.001","107.286","0.001","95.696","0.001","658.07","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N8 O18 Tb2 -","- C18 H26 N8 O18 Tb2 -","- C18 H26 N8 O18 Tb2 -","1","0.5","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0275","0.0259","","","0.0664","0.0674","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220809","7.9987","0.0006","9.813","0.0006","10.4856","0.0006","116.667","0.004","107.471","0.004","95.656","0.004","674.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N4 Nd O9 -","- C9 H13 N4 Nd O9 -","- C18 H26 N8 Nd2 O18 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0282","0.0273","","","0.0701","0.0707","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220810","7.9812","0.0003","9.7491","0.0004","10.4153","0.0004","116.803","0.001","107.37","0.001","95.67","0.001","663.93","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Eu2 N8 O18 -","- C18 H26 Eu2 N8 O18 -","- C18 H26 Eu2 N8 O18 -","1","0.5","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0225","0.021","","","0.0514","0.0519","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220811","7.9849","0.0016","9.783","0.002","10.443","0.002","116.75","0.03","107.36","0.03","95.71","0.03","668.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N4 O9 Sm -","- C9 H13 N4 O9 Sm -","- C18 H26 N8 O18 Sm2 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0365","0.0341","","","0.0768","0.0774","","","","","","1.572","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220812","7.9767","0.0005","9.7325","0.0005","10.3966","0.0006","116.821","0.001","107.333","0.001","95.669","0.001","661.32","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Gd N4 O9 -","- C9 H13 Gd N4 O9 -","- C18 H26 Gd2 N8 O18 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0295","0.0284","","","0.0746","0.0754","","","","","","1.038","","","","has coordinates","153111","2020-10-21","18:00:00",""
"7220813","20.8197","0.0013","20.8197","0.0013","11.5581","0.0015","90","","90","","120","","4338.8","0.7","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H5 Cd N9 O -","- C4 H5 Cd N9 O -","- C72 H90 Cd18 N162 O18 -","18","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0257","0.0247","","","0.0782","0.0789","","","","","","1.165","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220814","9.8747","0.0008","6.7895","0.0006","17.9044","0.0015","90","","101.958","0.001","90","","1174.34","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Cd2 N13 O -","- C6 H7 Cd2 N13 O -","- C24 H28 Cd8 N52 O4 -","4","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.063","0.0488","","","0.1028","0.1183","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220815","30.095","0.005","30.095","0.005","6.7707","0.0011","90","","90","","120","","5310.7","1.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H20 N24 O7 Zn6 -","- C18 H19.98 N24 O7 Zn6 -","- C108 H119.88 N144 O42 Zn36 -","6","0.333333","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0546","0.0363","","","0.0872","0.0945","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220816","17.501","0.003","33.436","0.006","7.1042","0.0012","90","","90","","90","","4157.1","1.2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C2.57 H7 Cd2 N4 O7.43 S -","- C2.57 H7 Cd2 N4 O7.43 S -","- C41.12 H112 Cd32 N64 O118.88 S16 -","16","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0262","0.0239","","","0.0554","0.0572","","","","","","1.058","","","","has coordinates,has disorder","153096","2020-10-21","18:00:00",""
"7220817","25.319","0.005","14.309","0.003","7.0137","0.0014","90","","96.379","0.003","90","","2525.3","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N10 O8 Zn3 -","- C18 H12 N10 O8 Zn3 -","- C72 H48 N40 O32 Zn12 -","4","0.5","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0447","0.0326","","","0.0691","0.073","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220818","7.3781","0.0013","13.574","0.002","13.578","0.002","113.181","0.002","103.841","0.002","90.952","0.002","1204.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23.65 Cd9 N30 O21.83 -","- C18 H23.656 Cd9 N30 O21.828 -","- C18 H23.656 Cd9 N30 O21.828 -","1","0.5","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0467","0.0346","","","0.0764","0.0844","","","","","","1.035","","","","has coordinates","153096","2020-10-21","18:00:00",""
"7220819","16.852","0.002","17.116","0.002","9.7103","0.0014","90","","118.683","0.002","90","","2457.1","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N5 O3 Zn -","- C8 H9 N5 O3 Zn -","- C64 H72 N40 O24 Zn8 -","8","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0506","0.0453","","","0.1552","0.1601","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220820","15.023","0.002","10.1643","0.0013","18.196","0.003","90","","114.233","0.002","90","","2533.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O11 Zn2 -","- C20 H22 N2 O11 Zn2 -","- C80 H88 N8 O44 Zn8 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0403","0.0319","","","0.0731","0.0788","","","","","","1.048","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220821","5.8438","0.0013","12.088","0.003","15.288","0.003","90","","99.975","0.005","90","","1063.6","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H10 N O5 Zn -","- C10 H10 N O5 Zn -","- C40 H40 N4 O20 Zn4 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0482","0.0363","","","0.0837","0.0922","","","","","","1.103","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220822","12.956","0.002","9.8991","0.001","16.96","0.002","90","","109.75","0.002","90","","2047.2","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 N2 Ni O8 -","- C16 H22 N2 Ni O8 -","- C64 H88 N8 Ni4 O32 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0422","0.033","","","0.0812","0.0879","","","","","","1.058","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220823","8.3592","0.0007","8.5498","0.0007","11.5516","0.0009","111.219","0.002","106.893","0.001","92.67","0.002","725.67","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0698","0.0663","","","0.1771","0.1809","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220824","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220825","8.0475","0.0005","11.7191","0.0007","12.4796","0.0008","90","","93.93","0.001","90","","1174.18","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 Fe N8 O3 -","- C4 H10 Cl2 Fe N8 O3 -","- C16 H40 Cl8 Fe4 N32 O12 -","4","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0233","0.0211","","","0.0473","0.0485","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220826","6.046","0.003","6.82","0.003","9.086","0.004","83.37","0.007","81.332","0.007","68.356","0.006","343.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.024","0.0236","","","0.0626","0.0632","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220827","22.145","0.007","5.6942","0.0018","11.621","0.004","90","","98.19","0.006","90","","1450.4","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","- C24 H32 Fe4 N40 O8 S8 -","4","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0313","0.0292","","","0.0734","0.0747","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220828","7.3937","0.0008","8.198","0.0009","12.7674","0.0014","76.242","0.002","74.662","0.002","86.512","0.002","724.9","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Br Fe0.5 N12 O3 -","- C6 H12 Br Fe0.5 N12 O3 -","- C12 H24 Br2 Fe N24 O6 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0389","0.0338","","","0.0867","0.0896","","","","","","1.043","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220829","12.2481","0.0013","5.6785","0.0006","17.9506","0.0018","90","","106.572","0.002","90","","1196.6","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N10 S2 Zn -","- C6 H4 N10 S2 Zn -","- C24 H16 N40 S8 Zn4 -","4","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0208","0.0201","","","0.0503","0.0511","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220830","7.4935","0.0006","7.8714","0.0006","12.2388","0.001","72.325","0.001","83.164","0.001","82.913","0.001","680.02","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H5 N10 O0.5 S2 Zn -","- C6 H4 N10 O0.5 S2 Zn -","- C12 H8 N20 O S4 Zn2 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0339","0.0304","","","0.0772","0.0791","","","","","","1.072","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220831","7.94","0.004","8.039","0.004","12.89","0.007","100.729","0.007","107.661","0.007","91.364","0.008","767.4","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H20 B2 F8 Fe N24 O4 -","- C12 H20 B2 F8 Fe N24 O4 -","- C12 H20 B2 F8 Fe N24 O4 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.1114","0.0763","","","0.1919","0.2141","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220832","8.2723","0.0012","20.345","0.003","8.6343","0.0011","90","","92.36","0.002","90","","1451.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 B2 Cu F8 N24 O2 -","- C12 H16 B2 Cu F8 N24 O2 -","- C24 H32 B4 Cu2 F16 N48 O4 -","2","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.034","0.0304","","","0.0744","0.0764","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220847","22.777","0.005","25.033","0.005","25.074","0.005","119.76","0.03","93.5","0.03","92.99","0.03","12332","6","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H72 Cu6 O42 -","- C108 H72 Cu6 O42 -","- C216 H144 Cu12 O84 -","2","1","","Duan, Jingui; Higuchi, Masakazu; Zou, Changchang; Jin, Wanqin; Kitagawa, Susumu","Two solvent-dependent porous coordination polymers with ‒OH decorated ligands: unusual non-crystallographic net andfshtopology","CrystEngComm","2015","17","30","5609","","10.1039/C5CE00762C","","","0.71073","MoKα","","0.1253","0.0975","","","0.2626","0.2959","","","","","","1.038","","","","has coordinates","153095","2020-10-21","18:00:00",""
"7220848","12.079","0.002","12.382","0.003","12.568","0.003","99.99","0.03","96","0.03","91.29","0.03","1839.5","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 Cu5 N2 O24 -","- C62 H52 Cu5 N2 O24 -","- C62 H52 Cu5 N2 O24 -","1","0.5","","Duan, Jingui; Higuchi, Masakazu; Zou, Changchang; Jin, Wanqin; Kitagawa, Susumu","Two solvent-dependent porous coordination polymers with ‒OH decorated ligands: unusual non-crystallographic net andfshtopology","CrystEngComm","2015","17","30","5609","","10.1039/C5CE00762C","","","0.71073","MoKα","","0.131","0.0967","","","0.2757","0.3012","","","","","","1.055","","","","has coordinates","153095","2020-10-21","18:00:00",""
"7220849","18.225","0.009","18.225","0.009","9.896","0.005","90","","90","","90","","3287","3","150","2","150","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C176 H144 N16 -","8","0.5","","Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M.","Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission.","Physical chemistry chemical physics : PCCP","2015","17","29","19465","19473","10.1039/c5cp02400e","","","0.71075","MoKα","","0.102","0.1","","","0.1948","0.1958","","","","","","1.338","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220850","8.44","0.002","9.676","0.002","10.316","0.003","75.506","0.009","87.977","0.011","79.212","0.009","801.2","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C44 H36 N4 -","2","1","","Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M.","Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission.","Physical chemistry chemical physics : PCCP","2015","17","29","19465","19473","10.1039/c5cp02400e","","","0.71075","MoKα","","0.089","0.0876","","","0.231","0.2317","","","","","","1.143","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220851","5.29961","0.00011","5.29961","0.00011","11.70466","0.0003","90","","90","","90","","328.736","0.013","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ca Ho0.05 La1.5 Mo4 O16 Yb0.45 -","- Ca Ho0.05 La1.5 Mo4 O16 Yb0.45 -","- Ca Ho0.05 La1.5 Mo4 O16 Yb0.45 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor","The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.","Physical chemistry chemical physics : PCCP","2015","17","29","19278","19287","10.1039/c5cp03054d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.26","1.652","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7220852","5.30206","0.00013","5.30206","0.00013","11.71178","0.00037","90","","90","","90","","329.24","0.015","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ca Ho0.05 La1.55 Mo4 O16 Yb0.4 -","- Ca Ho0.05 La1.55 Mo4 O16 Yb0.4 -","- Ca Ho0.05 La1.55 Mo4 O16 Yb0.4 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor","The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.","Physical chemistry chemical physics : PCCP","2015","17","29","19278","19287","10.1039/c5cp03054d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.55","1.716","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7220853","5.29843","0.00013","5.29843","0.00013","11.71297","0.00037","90","","90","","90","","328.822","0.015","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ca Ho0.05 La1.45 Mo4 O16 Yb0.5 -","- Ca Ho0.05 La1.45 Mo4 O16 Yb0.5 -","- Ca Ho0.05 La1.45 Mo4 O16 Yb0.5 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor","The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.","Physical chemistry chemical physics : PCCP","2015","17","29","19278","19287","10.1039/c5cp03054d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.65","1.607","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7220854","5.33701","0.00026","5.33701","0.00026","11.82903","0.00062","90","","90","","90","","336.93","0.03","300","","300","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ca La2 Mo4 O16 -","- Ca La2 Mo4 O16 -","- Ca La2 Mo4 O16 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor","The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.","Physical chemistry chemical physics : PCCP","2015","17","29","19278","19287","10.1039/c5cp03054d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.6","1.737","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7220855","5.303003","0.000089","5.303003","0.000089","11.71619","0.00024","90","","90","","90","","329.481","0.01","300","","300","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Ca Ho0.05 La1.6 Mo4 O16 Yb0.35 -","- Ca Ho0.05 La1.6 Mo4 O16 Yb0.35 -","- Ca Ho0.05 La1.6 Mo4 O16 Yb0.35 -","1","0.0625","","Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor","The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.","Physical chemistry chemical physics : PCCP","2015","17","29","19278","19287","10.1039/c5cp03054d","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.6","1.509","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7220862","35.022","0.003","10.764","0.001","20.158","0.002","90","","90","","90","","7599.1","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42.5 H35 Dy N3 O11 -","- C42.5 H35 Dy N3 O11 -","- C340 H280 Dy8 N24 O88 -","8","1","","Hui, Yan-Chun; Meng, Yin-Shan; Li, Zongsheng; Chen, Qi; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Construction and theoretical study of a new Dy-β-diketone chain featuring slow magnetic relaxation","CrystEngComm","2015","17","30","5620","","10.1039/C5CE00971E","","","0.71073","MoKα","","0.0459","0.0301","","","0.0553","0.0599","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220863","13.858","0.002","4.3834","0.0007","11.1513","0.0017","90","","98.584","0.002","90","","669.8","0.18","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0257","0.0215","","","0.0539","0.0551","","","","","","1.057","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220864","13.8531","0.0019","4.3928","0.0006","11.1633","0.0015","90","","98.597","0.002","90","","671.7","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0269","0.0217","","","0.0538","0.0553","","","","","","1.061","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220865","13.891","0.002","4.4024","0.0007","11.1676","0.0017","90","","98.719","0.002","90","","675.05","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0318","0.0245","","","0.0601","0.0623","","","","","","1.052","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220866","13.936","0.002","4.4112","0.0007","11.1717","0.0016","90","","98.84","0.002","90","","678.62","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.037","0.027","","","0.0633","0.066","","","","","","1.081","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220867","13.9822","0.0018","4.4209","0.0006","11.1785","0.0014","90","","98.951","0.002","90","","682.57","0.15","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0425","0.0283","","","0.0668","0.0714","","","","","","1.055","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220868","14.0179","0.0018","4.4297","0.0006","11.1892","0.0014","90","","99.047","0.002","90","","686.15","0.15","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0488","0.0299","","","0.0703","0.0759","","","","","","1.036","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220869","14.051","0.002","4.4406","0.0006","11.2041","0.0016","90","","99.129","0.002","90","","690.22","0.17","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.054","0.0312","","","0.0722","0.0797","","","","","","1.023","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220870","14.0837","0.0018","4.4538","0.0006","11.2236","0.0014","90","","99.2049","0.0018","90","","694.95","0.16","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0689","0.0391","","","0.0837","0.0963","","","","","","1.032","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220871","14.105","0.003","4.4657","0.001","11.245","0.002","90","","99.262","0.003","90","","699.1","0.2","330","2","330","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0753","0.035","","","0.0767","0.0877","","","","","","1.008","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220872","14.129","0.005","4.4805","0.0014","11.264","0.004","90","","99.369","0.005","90","","703.6","0.4","375","2","375","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.07","0.0323","","","0.0822","0.0944","","","","","","1.001","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220873","12.9324","0.0011","4.4704","0.0004","11.5909","0.001","90","","102.592","0.001","90","","653.99","0.1","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0296","0.0274","","","0.0729","0.075","","","","","","1.065","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220874","12.9484","0.0015","4.4854","0.0005","11.6092","0.0013","90","","102.545","0.0014","90","","658.15","0.13","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0348","0.0291","","","0.0748","0.0777","","","","","","1.046","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220875","12.9648","0.0011","4.5026","0.0004","11.6333","0.001","90","","102.499","0.001","90","","663","0.1","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0388","0.0323","","","0.0848","0.0902","","","","","","1.1","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220876","12.9974","0.0015","4.516","0.0005","11.6594","0.0013","90","","102.481","0.002","90","","668.19","0.13","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0481","0.0336","","","0.0822","0.0894","","","","","","1.024","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220877","13.032","0.0011","4.5311","0.0004","11.6944","0.001","90","","102.483","0.001","90","","674.22","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0575","0.0384","","","0.0951","0.1091","","","","","","1.079","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220878","13.061","0.003","4.5482","0.0009","11.736","0.002","90","","102.463","0.003","90","","680.7","0.2","340","2","340","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0742","0.0389","","","0.0957","0.1116","","","","","","0.973","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220879","13.097","0.004","4.5652","0.0015","11.779","0.004","90","","102.471","0.005","90","","687.7","0.4","375","2","375","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0799","0.0453","","","0.1066","0.1272","","","","","","1.101","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220880","8.273","0.0009","10.2826","0.0012","15.1195","0.0017","96.759","0.002","101.61","0.002","105.668","0.002","1192.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Mo8 N8 O30 -","- C36 H28 Mo8 N8 O30 -","- C36 H28 Mo8 N8 O30 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71073","MoKα","","0.0351","0.0254","","","0.0658","0.0691","","","","","","1.021","","","","has coordinates","171065","2020-10-21","18:00:00",""
"7220881","15.4","0.0006","17.393","0.0007","17.586","0.0007","99.683","0.001","101.239","0.001","106.964","0.001","4290","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H106 Cu2 N24 O102 P2 W24 -","- C108 H72 Cu2 N24 O95 P2 W24 -","- C108 H72 Cu2 N24 O95 P2 W24 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71069","MoKα","","0.1017","0.0912","","","0.2039","0.2081","","","","","","1.197","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220882","10.8767","0.0019","12.698","0.002","14.373","0.003","113.644","0.003","92.071","0.004","114.579","0.003","1603.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H62 Cr Cu4 Mo6 N8 O42 -","- C36 H28 Cr Cu4 Mo6 N8 O42 -","- C36 H28 Cr Cu4 Mo6 N8 O42 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71073","MoKα","","0.1241","0.0846","","","0.2429","0.2761","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220883","11.1118","0.0008","11.7101","0.0008","12.1289","0.0008","71.891","0.001","69.772","0.001","75.032","0.001","1387.26","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H51 Cr Cu2 Mo6 N8 O37 -","- C36 H44 Cr Cu2 Mo6 N8 O37 -","- C36 H44 Cr Cu2 Mo6 N8 O37 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71069","MoKα","","0.0669","0.0405","","","0.0855","0.0955","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220884","12.476","0.004","12.003","0.004","17.582","0.005","90","","94.066","0.004","90","","2626.3","1.4","298","2","298.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C16 H20 Ag4 N12 O40 Si W12 -","- C16 H20 Ag4 N12 O40 Si W12 -","- C32 H40 Ag8 N24 O80 Si2 W24 -","2","1","","Hu, Tuo-Ping; Zhao, Ya-Qin; Mei, Kai; Lin, Shu-Jie; Wang, Xing-Po; Sun, Di","A novel silver(i)-Keggin-polyoxometalate inorganic‒organic hybrid: a Lewis acid catalyst for cyanosilylation reaction","CrystEngComm","2015","17","31","5947","","10.1039/C5CE00953G","","","0.71073","MoKα","","0.0579","0.0561","","","0.1464","0.1487","","","","","","0.959","","","","has coordinates","153112","2020-10-21","18:00:00",""
"7220885","6.8038","0.0003","17.311","0.0006","13.4729","0.0005","90","","99.299","0.001","90","","1565.99","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O2 -","- C17 H23 N3 O2 -","- C68 H92 N12 O8 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.","Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.","Physical chemistry chemical physics : PCCP","2015","17","32","20515","20521","10.1039/c5cp03086b","","","0.71073","MoKα","","0.0434","0.0372","","","0.1353","0.1469","","","","","","1.24","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220886","10.896","0.006","7.886","0.005","19.222","0.009","90","","94.135","0.012","90","","1647.4","1.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O2 -","- C17 H23 N3 O2 -","- C68 H92 N12 O8 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.","Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.","Physical chemistry chemical physics : PCCP","2015","17","32","20515","20521","10.1039/c5cp03086b","","","0.71073","MoKα","","0.1602","0.0744","","","0.2239","0.2356","","","","","","1.242","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220887","7.1834","0.0005","12.7135","0.0008","16.514","0.0011","90","","97.201","0.002","90","","1496.26","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.","Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.","Physical chemistry chemical physics : PCCP","2015","17","32","20515","20521","10.1039/c5cp03086b","","","0.71073","MoKα","","0.0405","0.0346","","","0.1039","0.1154","","","","","","0.754","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220888","13.818","0.006","7.428","0.003","15.482","0.007","90","","93.055","0.009","90","","1586.8","1.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.","Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.","Physical chemistry chemical physics : PCCP","2015","17","32","20515","20521","10.1039/c5cp03086b","","","0.71073","MoKα","","0.1499","0.0759","","","0.1998","0.2317","","","","","","1.146","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220896","14.45","0.005","4.956","0.005","26.73","0.005","90","","96.301","0.005","90","","1903","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O2 S -","- C19 H20 N4 O2 S -","- C76 H80 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0925","0.0666","","","0.1823","0.2181","","","","","","1.04","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220897","14.858","0.0005","4.854","0.0001","26.819","0.0008","90","","90.237","0.001","90","","1934.19","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","IPHAT 2","5-(4-chlorobenzoyl)-4-isopropylidenehydrazino-2-phenylaminothiazole","","- C19 H19 Cl N4 O2 S -","- C19 H19 Cl N4 O2 S -","- C76 H76 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0612","0.0428","","","0.1098","0.1233","","","","","","1.025","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220898","9.6388","0.0003","16.1889","0.0004","14.8442","0.0005","90","","91.076","0.001","90","","2315.9","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BzHAT-MeOH","4-benzylidenehydrazino-5-(4-chlorobenzoyl)-2-phenylaminothiazole","","- C24 H21 Cl N4 O2 S -","- C24 H21 Cl N4 O2 S -","- C96 H84 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0421","0.0348","","","0.0899","0.098","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220899","9.672","0.0002","16.4163","0.0003","15.216","0.0003","90","","90.805","0.001","90","","2415.73","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BzHAT-EtOH","4-benzylidenehydrazino-5-(4-chlorobenzoyl)-2-phenylaminothiazole","","- C25 H23 Cl N4 O2 S -","- C25 H23 Cl N4 O2 S -","- C100 H92 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0612","0.0439","","","0.1136","0.1296","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220900","11.987","0.016","12.649","0.016","14.39","0.02","102.66","0.03","106.82","0.02","93.196","0.012","2021","5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","CyHAT","5-benzoyl-4-cyclohexylidenehydrazino-2-phenylaminothiazole","","- C22 H22 N4 O S -","- C22 H22 N4 O S -","- C88 H88 N16 O4 S4 -","4","2","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.178","0.0651","","","0.1079","0.1437","","","","","","0.605","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220901","6.7596","0.0004","14.2927","0.0006","16.0445","0.0007","90","","90","","90","","1550.11","0.13","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-NO2-SP-HCl","4-nitrostyrylpyridinium chloride","","- C13 H17 Cl N2 O5 -","- C13 H13 Cl N2 O5 -","- C52 H52 Cl4 N8 O20 -","4","1","","Yamada, Shinji; Sako, Nodoka; Yamada, Kazuhiko; Deguchi, Kenzo; Shimizu, Tadashi","Porous organic hydrate crystals: structure and dynamic behaviour of water clusters","CrystEngComm","2015","17","30","5629","","10.1039/C4CE02517B","","","1.54187","CuKα","","0.126","0.0911","","","0.2306","0.2706","","","","","","1.036","","","","has coordinates","153101","2020-10-21","18:00:00",""
"7220902","10.4529","0.0001","16.105","0.0002","7.25488","0.0001","90","","112.369","0.001","90","","1129.41","0.02","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 O3 -","- C12 H10 N4 O3 -","- C48 H40 N16 O12 -","4","1","","Yoshii, Y.; Sakai, K.; Hoshino, N.; Takeda, T.; Noro, S.; Nakamura, T.; Akutagawa, T.","Crystal-to-crystal structural transformation of hydrogen-bonding molecular crystals of (imidazolium)(3-hydroxy-2-quinoxalinecarboxylate) through H2O adsorption–desorption","CrystEngComm","2015","17","31","5962","","10.1039/C4CE02519A","","","1.54187","CuKα","","0.0419","0.0352","","","0.0927","0.1054","","","","","","1.111","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220903","7.02478","0.00013","16.0194","0.0003","21.5034","0.0004","90","","90","","90","","2419.84","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C96 H96 N32 O32 -","8","1","","Yoshii, Y.; Sakai, K.; Hoshino, N.; Takeda, T.; Noro, S.; Nakamura, T.; Akutagawa, T.","Crystal-to-crystal structural transformation of hydrogen-bonding molecular crystals of (imidazolium)(3-hydroxy-2-quinoxalinecarboxylate) through H2O adsorption–desorption","CrystEngComm","2015","17","31","5962","","10.1039/C4CE02519A","","","1.54187","CuKα","","0.0457","0.0422","","","0.1138","0.1168","","","","","","0.815","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220910","9.4974","0.0009","17.4158","0.0016","25.769","0.002","80.532","0.005","84.709","0.004","89.933","0.004","4185.9","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","L","","- C28 H22 N6 -","- C28 H22.005 N6 -","- C224 H176.04 N48 -","8","4","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1799","0.1044","","","0.2681","0.3286","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220911","51.246","0.003","4.7708","0.0002","17.4723","0.0008","90","","99.207","0.003","90","","4216.7","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- C56 H43 N12 Ni -","- C56 H43 N12 Ni -","- C224 H172 N48 Ni4 -","4","0.5","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1468","0.0924","","","0.2334","0.2703","","","","","","1.076","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220912","51.241","0.003","4.7974","0.0003","17.4614","0.001","90","","99.137","0.004","90","","4238","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2","","- C56 H40 Co2 N12 -","- C56 H40 Co2 N12 -","- C224 H160 Co8 N48 -","4","0.5","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1484","0.0555","","","0.1128","0.1563","","","","","","1.047","","","","has coordinates,has disorder","301865","2025-08-22","16:16:41",""
"7220913","8.9584","0.0002","14.6692","0.0004","19.0677","0.0005","90","","117.742","0.002","90","","2217.71","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3","","- C28 H20 Co N6 -","- C28 H20 Co N6 -","- C112 H80 Co4 N24 -","4","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.0737","0.0448","","","0.0935","0.1028","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220914","25.9109","0.001","18.3337","0.0007","14.7137","0.0005","90","","90","","90","","6989.6","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4","","- C37.5 H29 N6.5 O6 Zn -","- C37.5 H29 N6.5 O6 Zn -","- C300 H232 N52 O48 Zn8 -","8","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.2049","0.0994","","","0.2115","0.2613","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220915","19.8884","0.0013","33.434","0.002","26.1619","0.0017","90","","105.04","0.002","90","","16800.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5","","- C84 H58 Co3 N12 O8 -","- C84 H58 Co3 N12 O8 -","- C672 H464 Co24 N96 O64 -","8","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1209","0.0714","","","0.2094","0.2292","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220916","29.935","0.004","29.935","0.004","11.194","0.002","90","","90","","120","","8687","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H15 N3 O6 Zn -","- C17 H15 N3 O6 Zn -","- C306 H270 N54 O108 Zn18 -","18","1","","Yang, Linyan; Zhang, Yanping; Lv, Rui; Wang, Jingyao; Fu, Xin; Gu, Wen; Liu, Xin","Serrated single-wall metal‒organic nanotubes (SWMONTs) for benzene adsorption","CrystEngComm","2015","17","30","5625","","10.1039/C5CE00911A","","","0.71073","MoKα","","0.079","0.07","","","0.1907","0.1981","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220917","8.804","0.007","7.685","0.005","21.631","0.015","90","","100.287","0.012","90","","1440","1.8","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Karunakaran, Venugopal; Prabhu, Deepak D.; Das, Suresh; Varughese, Sunil","Transformation of photophysical properties from solution to solid state in alkoxy-cyano-diphenylacetylene molecules.","Physical chemistry chemical physics : PCCP","2015","17","28","18768","18779","10.1039/c5cp02762d","","","0.71073","MoKα","","0.1273","0.0755","","","0.1636","0.1986","","","","","","1.182","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220928","19.7623","0.0013","21.3747","0.0014","8.369","0.0005","90","","112.171","0.005","90","","3273.8","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H16 N6 O4 Zn -","- C23 H16 N6 O4 Zn -","- C92 H64 N24 O16 Zn4 -","4","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.0774","0.0549","","","0.1073","0.1176","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220929","19.499","0.003","19.499","0.003","10.738","0.002","90","","90","","120","","3535.7","1","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C144 H96 N24 O24 Zn6 -","6","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.148","0.1078","","","0.305","0.3403","","","","","","1.165","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220930","13.9914","0.0002","20.2561","0.0004","23.3703","0.0005","90","","90","","90","","6623.4","0.2","293","2","293","2","","","","","","","","5","P c c 2","P 2 -2c","27","","","","- C60 H40 N12 O12 Zn3 -","- C60 H43 N12 O12 Zn3 -","- C240 H172 N48 O48 Zn12 -","4","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","1.54184","CuKα","","0.1478","0.0895","","","0.2142","0.2794","","","","","","0.948","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220931","7.715","0.0012","8.258","0.0013","9.594","0.0016","115.02","0.005","92.541","0.005","90.02","0.005","553.21","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","1","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine–M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion–π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","","0.71073","MoKα","","0.067","0.0442","","","0.0886","0.0965","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220932","15.354","0.004","9.78","0.002","16.2709","0.0014","90","","104.57","0.04","90","","2364.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Cu0.5 N5 O3 -","- C11 H8 Cu0.5 N5 O3 -","- C88 H64 Cu4 N40 O24 -","8","1","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine–M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion–π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.0728","0.0389","","","0.0832","0.098","","","","","","1.079","","","","has coordinates","301865","2025-08-22","16:16:41",""
"7220933","15.101","0.006","9.635","0.003","16.508","0.008","90","","103.54","0.06","90","","2335.1","1.7","294","2","294","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Co N10 O6 -","- C22 H16 Co N10 O6 -","- C88 H64 Co4 N40 O24 -","4","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine–M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion–π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.089","0.0451","","","0.0939","0.1055","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220934","15.327","0.008","9.623","0.006","16.459","0.008","90","","104.47","0.04","90","","2351","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N10 Ni O6 -","- C22 H16 N10 Ni O6 -","- C88 H64 N40 Ni4 O24 -","4","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine–M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion–π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.2903","0.0925","","","0.0895","0.1299","","","","","","0.841","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220935","7.0438","0.0007","7.8981","0.0007","12.0293","0.0011","81.397","0.003","89.396","0.003","67.424","0.003","610.18","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cu N10 O10 -","- C22 H20 Cu N10 O10 -","- C22 H20 Cu N10 O10 -","1","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","","0.71073","MoKα","","0.0486","0.0389","","","0.1092","0.1157","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220936","3.98","0.002","13.759","0.007","15.461","0.008","90","","90.994","0.008","90","","846.5","0.7","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dinitroanisole","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0719","0.0528","","","0.1541","0.178","","","","","","1.038","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220937","3.9618","0.0019","13.745","0.007","15.47","0.008","90","","91.089","0.006","90","","842.3","0.7","283","2","283","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dinitroanisole","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.07","0.0429","","","0.1089","0.1241","","","","","","0.883","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220938","3.957","0.002","13.735","0.007","15.454","0.008","90","","91.156","0.008","90","","839.7","0.7","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0756","0.0454","","","0.1237","0.1522","","","","","","0.887","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220939","3.9291","0.0018","13.739","0.006","15.443","0.007","90","","94.454","0.007","90","","831.1","0.6","261","2","261","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0707","0.0438","","","0.1078","0.1216","","","","","","0.919","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220940","3.908","0.002","13.78","0.01","15.42","0.01","90","","95.31","0.006","90","","826.8","0.9","236","2","236","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0711","0.0446","","","0.1147","0.1255","","","","","","0.917","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220941","3.8968","0.0018","13.781","0.007","15.419","0.007","90","","95.382","0.006","90","","824.4","0.7","226","2","226","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0653","0.045","","","0.1247","0.1396","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220942","3.88","0.002","13.786","0.007","15.404","0.009","90","","95.639","0.007","90","","820","0.8","208","2","208","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0615","0.0417","","","0.1074","0.1172","","","","","","0.913","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220943","3.876","0.0018","13.791","0.006","15.388","0.007","90","","95.882","0.006","90","","818.2","0.6","198","","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0576","0.0384","","","0.0947","0.1026","","","","","","0.916","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220944","3.8537","0.0015","13.804","0.005","15.381","0.006","90","","96.164","0.006","90","","813.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0554","0.0404","","","0.1064","0.1155","","","","","","1.007","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220945","3.8278","0.0018","13.813","0.006","15.364","0.008","90","","96.512","0.007","90","","807.1","0.7","128","","128","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0457","0.0347","","","0.0856","0.0902","","","","","","0.958","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220946","3.8139","0.001","13.823","0.004","15.349","0.004","90","","96.777","0.004","90","","803.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0402","0.0331","","","0.0882","0.0915","","","","","","1","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220947","8.593","0.002","12.641","0.003","15.263","0.004","90","","97.065","0.004","90","","1645.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0587","0.0354","","","0.067","0.0729","","","","","","0.879","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220948","8.608","0.002","12.658","0.003","15.282","0.004","90","","97.022","0.003","90","","1652.6","0.7","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0565","0.0405","","","0.0911","0.0985","","","","","","1.055","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220949","8.623","0.004","12.646","0.005","15.305","0.006","90","","97.145","0.005","90","","1656","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0625","0.0448","","","0.0972","0.1054","","","","","","1.066","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220950","8.665","0.003","12.666","0.004","15.316","0.005","90","","97.277","0.003","90","","1667.4","1","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0692","0.0482","","","0.1049","0.115","","","","","","1.067","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220951","8.691","0.003","12.673","0.004","15.336","0.005","90","","97.417","0.004","90","","1675","1","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0749","0.0503","","","0.1096","0.121","","","","","","1.07","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220952","8.721","0.003","12.675","0.004","15.366","0.005","90","","97.58","0.004","90","","1683.7","1","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0837","0.0524","","","0.1096","0.1239","","","","","","1.057","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220953","8.767","0.003","12.675","0.004","15.411","0.005","90","","97.912","0.005","90","","1696.2","1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0985","0.0578","","","0.1265","0.1466","","","","","","1.046","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220954","8.794","0.003","12.678","0.003","15.437","0.005","90","","98.052","0.004","90","","1704.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.1067","0.0594","","","0.1274","0.1483","","","","","","1.093","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220955","7.6803","0.0013","18.549","0.004","11.229","0.003","90","","92.711","0.015","90","","1597.9","0.6","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.065","","","","0.1694","","","","","","1.089","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220956","23.613","0.005","5.9425","0.001","22.998","0.005","90","","102.411","0.008","90","","3151.7","1.1","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C152 H144 N24 -","4","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0497","","","","0.1392","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220957","4.832","0.008","26.06","0.04","12.243","0.015","90","","91.4","0.08","90","","1541","4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C76 H72 N12 -","2","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0754","","","","0.2182","","","","","","1.005","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220958","46.128","0.012","6.2135","0.0014","20.163","0.005","90","","100.884","0.019","90","","5675","2","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N6 -","- C34 H28 N6 -","- C272 H224 N48 -","8","1","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0744","","","","0.1771","","","","","","0.932","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220959","23.947","0.007","6.9011","0.0013","23.64","0.008","90","","104.564","0.011","90","","3781.2","1.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 N6 -","- C50 H36 N6 -","- C200 H144 N24 -","4","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0619","","","","0.1712","","","","","","1.015","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220962","39.356","0.013","9.332","0.003","9.842","0.003","90","","101.864","0.004","90","","3537","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 N6 O10 Zn2 -","- C24 H34 N6 O10 Zn2 -","- C96 H136 N24 O40 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.0604","0.0554","","","0.1687","0.1747","","","","","","1.096","","","","has coordinates","153106","2020-10-21","18:00:00",""
"7220963","38.503","0.005","9.4511","0.0012","9.8023","0.0013","90","","100.578","0.002","90","","3506.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N8 O8 Zn2 -","- C22 H20 N8 O7.9998 Zn2 -","- C88 H80 N32 O31.9992 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.0952","0.0618","","","0.2065","0.2442","","","","","","1.122","","","","has coordinates,has disorder","153106","2020-10-21","18:00:00",""
"7220964","38.028","0.01","9.647","0.003","9.871","0.003","90","","97.49","0.005","90","","3590.3","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N6 O8 Zn2 -","- C20 H22 N6 O8 Zn2 -","- C80 H88 N24 O32 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.1091","0.0845","","","0.2533","0.2759","","","","","","1.152","","","","has coordinates","153106","2020-10-21","18:00:00",""
"7220965","14.2707","0.0005","11.9131","0.0004","18.9905","0.0006","90","","90","","90","","3228.54","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O10 Zn -","- C15 H17 N O10 Zn -","- C120 H136 N8 O80 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0662","0.0399","","","0.0789","0.0869","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220966","7.4952","0.0002","17.417","0.0005","21.7353","0.0005","90","","90","","90","","2837.41","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O7 Zn -","- C15 H11 N O7 Zn -","- C120 H88 N8 O56 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0391","0.0314","","","0.0715","0.0746","","","","","","1.026","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220967","11.722","0.0004","15.365","0.0005","12.7229","0.001","90","","119.424","0.004","90","","1995.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O8 Zn -","- C20 H17 N2 O8 Zn -","- C80 H68 N8 O32 Zn4 -","4","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0648","0.0463","","","0.107","0.1185","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220968","17.0363","0.0004","7.7794","0.0002","20.1494","0.0005","90","","90","","90","","2670.44","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br0 Cd N O7 -","- C15 H11 Cd N O7 -","- C120 H88 Cd8 N8 O56 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0407","0.0304","","","0.0683","0.072","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220969","8.6985","0.0004","9.4824","0.0006","17.7549","0.001","80.703","0.005","77.485","0.005","65.302","0.005","1294.72","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Cd N5 O8 -","- C25 H27 Cd N5 O8 -","- C50 H54 Cd2 N10 O16 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0484","0.0374","","","0.073","0.0764","","","","","","1.031","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220970","10.1493","0.0005","11.1061","0.0007","12.8644","0.0006","109.643","0.005","101.237","0.004","94.591","0.005","1322.77","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu N3 O12 -","- C25 H29 Cu N3 O12 -","- C50 H58 Cu2 N6 O24 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0734","0.0497","","","0.1017","0.1095","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220971","10.0801","0.0003","10.821","0.0005","13.4386","0.0006","95.194","0.004","92.144","0.003","92.391","0.003","1457.3","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cu N3 O12 -","- C27 H31 Cu N3 O12 -","- C54 H62 Cu2 N6 O24 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.1","0.0892","","","0.2601","0.2718","","","","","","1.058","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220972","38.012","0.007","38.012","0.007","29.603","0.012","90","","90","","120","","37043","18","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H46 Co3 N6 O14 -","- C60 H46 Co3 N6 O14 -","- C1080 H828 Co54 N108 O252 -","18","0.5","","Zhou, Ting-Ting; Xuan, Zhi-Hong; Zhang, Da-Shuai; Chang, Ze; Zhang, Ying-Hui; Bu, Xian-He","A unique “cage-in-cage” metal‒organic framework based on nested cages from interpenetrated networks","CrystEngComm","2015","17","31","5884","","10.1039/C5CE01047K","","","0.71073","MoKα","","0.0898","0.0627","","","0.1647","0.1831","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220977","9.6788","0.0003","9.6941","0.0003","12.4864","0.0004","86.025","0.002","86.707","0.002","89.675","0.002","1166.81","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","[P4444][H(OAc)2]","tetrabutylphosphonium hydrogendiethanoate","","- C20 H43 O4 P -","- C20 H43 O4 P -","- C40 H86 O8 P2 -","2","1","","Anderson, Kris; Atkins, Martin P.; Estager, Julien; Kuah, Yongcheun; Ng, Shieling; Oliferenko, Alexander A.; Plechkova, Natalia V.; Puga, Alberto V.; Seddon, Kenneth R.; Wassell, David F.","Carbon dioxide uptake from natural gas by binary ionic liquid‒water mixtures","Green Chem.","2015","17","8","4340","","10.1039/C5GC00720H","","","0.71073","MoKα","","0.0435","0.0372","","","0.0956","0.0994","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220978","10.569","0.005","11.627","0.005","31.826","0.005","90","0.005","90.812","0.005","90","0.005","3911","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[P4444][HCO3]","tetrabutylphosphonium hydrogencarbonate","","- C34 H74 O6 P2 -","- C34 H74 O6 P2 -","- C136 H296 O24 P8 -","4","1","","Anderson, Kris; Atkins, Martin P.; Estager, Julien; Kuah, Yongcheun; Ng, Shieling; Oliferenko, Alexander A.; Plechkova, Natalia V.; Puga, Alberto V.; Seddon, Kenneth R.; Wassell, David F.","Carbon dioxide uptake from natural gas by binary ionic liquid–water mixtures","Green Chem.","2015","17","8","4340","","10.1039/C5GC00720H","","","0.71073","MoKα","","0.135","0.0567","","","0.117","0.1331","","","","","","0.88","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220979","11.5582","0.0007","12.3717","0.0007","23.8099","0.0018","90","","90","","90","","3404.7","0.4","115","","115","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 B F4 N2 -","- C20 H15 B F4 N2 -","- C160 H120 B8 F32 N16 -","8","1","","de Robillard, Guillaume; Makni, Oumayma; Cattey, Hélène; Andrieu, Jacques; Devillers, Charles H.","Towards sustainable synthesis of pyren-1-yl azoliums via electrochemical oxidative C–N coupling","Green Chem.","2015","17","9","4669","","10.1039/C5GC01142F","","","0.71073","MoKα","","0.0714","0.0499","","","0.1221","0.1362","","","","","","1.026","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7220980","8.5758","0.0006","10.4878","0.0007","12.8368","0.0008","75.32","0.002","78.092","0.002","74.019","0.002","1062.06","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 B F4 N3 -","- C26 H20 B F4 N3 -","- C52 H40 B2 F8 N6 -","2","1","","de Robillard, Guillaume; Makni, Oumayma; Cattey, Hélène; Andrieu, Jacques; Devillers, Charles H.","Towards sustainable synthesis of pyren-1-yl azoliums via electrochemical oxidative C–N coupling","Green Chem.","2015","17","9","4669","","10.1039/C5GC01142F","","","0.71073","MoKα","","0.0506","0.0379","","","0.0934","0.1019","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7220981","7.7832","0.001","9.8765","0.0013","16.564","0.002","90","","91.056","0.003","90","","1273.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C56 H40 Br4 N12 -","4","1","","Ghosh, Pritam; Roy, Biswajit Gopal; Jana, Saibal; Mukhopadhyay, Subhra Kanti; Banerjee, Priyabrata","Colorimetric and fluorimetric response of Schiff base molecules towards fluoride anion, solution test kit fabrication, logical interpretations and DFT-D3 study.","Physical chemistry chemical physics : PCCP","2015","17","31","20288","20295","10.1039/c5cp02525g","","","0.71073","MoKα","","0.0399","0.0312","","","0.0741","0.0772","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221019","13.1304","0.0007","16.5224","0.0009","19.2845","0.001","83.67","0.003","82.84","0.003","70.242","0.003","3896.3","0.4","123","","123","","","","","","","","J.M.Klein","5","P -1","-P 1","2","","","","- C82 H85 Cd2 N13 O16 -","- C82 H85 Cd2 N13 O16 -","- C164 H170 Cd4 N26 O32 -","2","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.54178","CuKα","","0.0586","0.054","","0.1228","0.1212","0.1228","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221020","15.0312","0.0009","25.4508","0.0011","21.7048","0.0012","90","","92.051","0.004","90","","8298","0.8","123","","123","","","","","","","","M.Klein","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H66 Cd2 Cl9 N13 O15 -","- C72 H63 Cd2 N13 O15 -","- C288 H252 Cd8 N52 O60 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1228","0.0814","","0.2753","0.2242","0.2753","","","","","","0.9871","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221021","17.336","0.003","17.302","0.003","18.817","0.003","90","","97.458","0.007","90","","5596.4","1.6","123","","123","","","","","","","","Max Klein","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 Cd N8 O10 -","- C58 H66 Cd N8 O10 -","- C232 H264 Cd4 N32 O40 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.54178","CuKα","","0.1359","0.0986","","0.3369","0.2752","0.3369","","","","","","0.9707","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221022","25.945","0.006","24.578","0.005","17.527","0.003","90","","91.069","0.009","90","","11175","4","123","","123","","","","","","","","M. Klein","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H103 Cd2 Cl9 N16 O16 -","- C105 H101 Cd2 Cl3 N16 O16 -","- C420 H404 Cd8 Cl12 N64 O64 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1419","0.134","","0.3513","0.3465","0.3513","","","","","","1.0024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221023","25.2624","0.0012","25.0809","0.0011","16.7959","0.0008","90","","92.522","0.003","90","","10631.6","0.9","123","","123","","","","","","","","M. Klein","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H112 Cd2 Cl3 N16 O17 -","- C108 H108 Cd2 N16 O16 -","- C432 H432 Cd8 N64 O64 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1279","0.1026","","0.3071","0.2838","0.3071","","","","","","0.9905","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221050","7.6279","0.0009","10.6208","0.0013","20.927","0.003","76.939","0.006","80.725","0.006","72.021","0.006","1563.2","0.4","300","2","300","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H37 Fe N5 O5 -","- C33 H37 Fe N5 O5 -","- C66 H74 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.1025","0.0883","","","0.204","0.2142","","","","","","1.124","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221051","7.5843","0.0006","10.6128","0.001","21.007","0.002","76.045","0.003","80.991","0.002","71.463","0.002","1549.9","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H39 Fe N5 O5 -","- C33 H39 Fe N5 O5 -","- C66 H78 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.085","0.0649","","","0.1448","0.1583","","","","","","1.028","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221052","20.6387","0.001","20.6387","0.001","20.6387","0.001","90","","90","","90","","8791.2","0.7","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","1","0.0416667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0261","0.0197","","","0.0487","0.0525","","","","","","1.073","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221053","20.496","0.007","20.496","0.007","20.496","0.007","90","","90","","90","","8610","5","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd Cl K N O -","- C3.87097 H2.32258 Cd0.387097 Cl0.0645161 K0.0645161 N3.09677 O0.774194 -","- C240 H144 Cd24 Cl4 K4 N192 O48 -","62","2.58333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0599","0.0379","","","0.0859","0.0948","","","","","","0.961","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221054","20.554","0.0009","20.554","0.0009","20.554","0.0009","90","","90","","90","","8683.4","0.7","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Br Cd6 N48 Na O12 -","- C60 H36 Br Cd6 N48 Na O12 -","- C240 H144 Br4 Cd24 N192 Na4 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0289","0.0196","","","0.0483","0.0536","","","","","","0.995","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221055","20.5415","0.0007","20.5415","0.0007","20.5415","0.0007","90","","90","","90","","8667.6","0.5","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C30 H18 Cd3 Cl0.5 N24 Na0.5 O6 -","- C120 H72 Cd12 Cl2 N96 Na2 O24 -","- C240 H144 Cd24 Cl4 N192 Na4 O48 -","2","0.0833333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0311","0.0278","","","0.0635","0.0651","","","","","","1.185","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221056","20.6279","0.0005","20.6279","0.0005","20.6279","0.0005","90","","90","","90","","8777.4","0.4","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C20 H12 Cd2 I0.33 N16 Na0.33 O4 -","- C20 H12 Cd2 I0.333333 N16 Na0.333333 O4 -","- C240 H144 Cd24 I4 N192 Na4 O48 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0263","0.0206","","","0.0495","0.0525","","","","","","1.094","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221057","20.6298","0.0003","20.6298","0.0003","20.6298","0.0003","90","","90","","90","","8779.8","0.2","298","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 Cl N48 O12 Rb -","- C60 H36 Cd6 Cl N48 O12 Rb -","- C240 H144 Cd24 Cl4 N192 O48 Rb4 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0524","0.0558","","","","","","1.102","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221058","20.6704","0.0005","20.6704","0.0005","20.6704","0.0005","90","","90","","90","","8831.7","0.4","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C3.93 H0.02 Br0.07 Cd0.39 N3.15 O0.79 Rb0.07 -","- C20 H12 Br0.333333 Cd2 N16 O4 Rb0.333333 -","- C240 H144 Br4 Cd24 N192 O48 Rb4 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0351","0.0262","","","0.0631","0.0672","","","","","","1.109","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221059","20.7438","0.0004","20.7438","0.0004","20.7438","0.0004","90","","90","","90","","8926.2","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd I N O Rb -","- C4 H2.4 Cd0.4 I0.0666667 N3.2 O0.8 Rb0.0666667 -","- C240 H144 Cd24 I4 N192 O48 Rb4 -","60","2.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.028","0.0204","","","0.0446","0.0481","","","","","","1.047","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221060","20.7166","0.0004","20.7166","0.0004","20.7166","0.0004","90","","90","","90","","8891.1","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 I K N48 O12 -","- C60 H36 Cd6 I K N48 O12 -","- C240 H144 Cd24 I4 K4 N192 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0278","0.0203","","","0.0441","0.0479","","","","","","1.07","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221061","10.8092","0.0015","10.8092","0.0015","12.501","0.003","90","","90","","90","","1460.6","0.5","293","2","293","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C10 H10 Cr Gd N2 O12 -","- C10 H10 Cr Gd N2 O12 -","- C40 H40 Cr4 Gd4 N8 O48 -","4","0.25","","Liu, Sui-Jun; Xie, Xin-Rong; Zheng, Teng-Fei; Bao, Jun; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui","Three-dimensional two-fold interpenetrated CrIII‒GdIIIheterometallic framework as an attractive cryogenic magnetorefrigerant","CrystEngComm","2015","17","38","7270","","10.1039/C5CE00997A","","","0.71073","MoKα","","0.0537","0.0487","","","0.0884","0.0906","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221120","9.718","0.0005","10.2978","0.0005","12.2586","0.0005","89.871","0.004","80.34","0.004","74.104","0.004","1161.89","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C40 H34 Cl4 N10 O22 -","2","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.1103","0.0973","","","0.2217","0.2281","","","","","","1.047","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221121","8.9344","0.0002","18.8814","0.0006","14.142","0.0004","90","","90.449","0.002","90","","2385.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C80 H68 Cl8 N20 O44 -","4","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.1088","0.0711","","","0.1794","0.204","","","","","","1.066","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221122","32.842","0.007","8.4292","0.0017","17.392","0.004","90","","103.11","0.03","90","","4689.2","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C160 H136 Cl16 N40 O88 -","8","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.0813","0.0714","","","0.191","0.2012","","","","","","1.068","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221123","7.141","0.002","17.151","0.004","20.891","0.005","90","","99.18","0.03","90","","2525.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene acetonitrile monosolvate","","- C24 H13 N5 O4 S4 -","- C24 H13 N5 O4 S4 -","- C96 H52 N20 O16 S16 -","4","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1038","0.0664","","","0.1564","0.1773","","","","","","1.096","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221124","7.3769","0.0011","9.3811","0.0009","18.9293","0.0019","81.218","0.007","88.805","0.01","75.958","0.01","1255.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene chlorobenzene hemisolvate","","- C25 H12.5 Cl0.5 N4 O4 S4 -","- C25 H12.5 Cl0.5 N4 O4 S4 -","- C50 H25 Cl N8 O8 S8 -","2","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0762","0.0408","","","0.0921","0.1098","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221125","7.1635","0.0016","19.881","0.004","37.705","0.008","90","","90","","90","","5370","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetonitrile monosolvate","","- C24 H12 N6 O6 S4 -","- C24 H12 N6 O6 S4 -","- C192 H96 N48 O48 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1039","0.057","","","0.1404","0.1647","","","","","","1.029","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7221126","7.1682","0.0015","19.902","0.006","37.805","0.009","90","","90","","90","","5393","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetone hemisolvate","","- C23.5 H12 N5 O6.5 S4 -","- C23.5 H12 N5 O6.5 S4 -","- C188 H96 N40 O52 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1109","0.0621","","","0.1472","0.1848","","","","","","1.092","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7221127","15.9432","0.0014","12.1351","0.0009","13.5738","0.0011","90","","104.572","0.007","90","","2541.7","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrathiafulvalene 9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid monohydrate","","- C23 H11 N5 O9 S4 -","- C23 H11 N5 O9 S4 -","- C92 H44 N20 O36 S16 -","4","0.5","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0647","0.0547","","","0.1448","0.1511","","","","","","1.064","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7221128","10.0608","0.001","10.3528","0.0011","15.612","0.002","107.535","0.008","100.525","0.009","90.877","0.008","1520.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","tris(Tetrathiafulvalene) bis(9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid) acetonitrile disolvate","","- C56 H28 N12 O16 S12 -","- C56 H28 N12 O16 S12 -","- C56 H28 N12 O16 S12 -","1","0.5","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0862","0.0569","","","0.1385","0.1567","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221129","14.4612","0.0003","22.9608","0.0005","26.3393","0.0007","75.41","0.002","77.11","0.002","87.87","0.002","8248.7","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C298 H344 Gd2 N12 O114 P4 S16 -","- C298 H240 Gd2 N12 O114 P4 S16 -","- C298 H240 Gd2 N12 O114 P4 S16 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.0993","0.0852","","","0.2198","0.2328","","","","","","1.021","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221130","12.7595","0.0006","18.6525","0.0012","20.5628","0.0012","94.553","0.005","100.514","0.004","106.892","0.005","4558.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C179 H188 La N10 O52 P2 S8 -","- C179 H152 La N10 O52 P2 S8 -","- C179 H152 La N10 O52 P2 S8 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.2533","0.1607","","","0.3545","0.4141","","","","","","1.058","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221131","14.082","0.0002","19.2969","0.0004","30.278","0.0008","86.912","0.002","79.794","0.002","78.073","0.002","7921.4","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H180 Gd2 N4 O63 P2 S8 -","- C140 H116 Gd2 N4 O63 P2 S8 -","- C280 H232 Gd4 N8 O126 P4 S16 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.1598","0.145","","","0.3709","0.3824","","","","","","1.002","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221132","19.6775","0.0018","7.2816","0.0009","6.0174","0.0006","90","","96.137","0.009","90","","857.25","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.0734","0.0554","","","0.1322","0.1456","","","","","","1.005","","","","has coordinates,has disorder","301865","2025-08-22","16:16:42",""
"7221133","17.6212","0.0004","17.6212","0.0004","71.599","0.002","90","","90","","120","","19253.4","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C90 H152 Cd7 I12 N22 O8 -","- C90 H150 Cd7 I12 N22 O8 -","- C540 H900 Cd42 I72 N132 O48 -","6","0.166667","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.0337","0.0308","","","0.0738","0.0754","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221134","10.1322","0.0014","18.536","0.002","26.333","0.004","90","","99.012","0.002","90","","4884.6","1.1","163","2","163","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H63 Cd3 Cl6 N8 O4.5 -","- C36 H54 Cd3 Cl6 N8 O4.5 -","- C144 H216 Cd12 Cl24 N32 O18 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.052","0.0459","","","0.1213","0.1272","","","","","","1.063","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221135","9.671","0.0001","33.8375","0.0004","14.2619","0.0002","90","","93.22","0.001","90","","4659.73","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 Br6 Cd3 N8 O1.5 -","- C36 H54 Br6 Cd3 N8 O1.5 -","- C144 H216 Br24 Cd12 N32 O6 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54178","CuKα","","0.0467","0.0413","","","0.0976","0.1003","","","","","","1.147","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221136","13.149","0.005","14.006","0.005","15.694","0.006","87.296","0.007","66.076","0.007","81.938","0.006","2615.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H67 Cl4 N11 O14 Zn2 -","- C42 H63 Cl4 N11 O14 Zn2 -","- C84 H126 Cl8 N22 O28 Zn4 -","2","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.1103","0.055","","","0.137","0.1651","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221137","13.253","0.004","14.04","0.005","15.795","0.005","87.47","0.006","65.997","0.006","82.199","0.006","2659.8","1.5","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H67 Br Cl3 N11 O14 Zn2 -","- C42 H67 Br Cl3 N11 O14 Zn2 -","- C84 H134 Br2 Cl6 N22 O28 Zn4 -","2","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.1004","0.0554","","","0.1537","0.1823","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221138","10.0947","0.0003","18.4694","0.0005","26.2626","0.0007","90","","99.587","0.003","90","","4828.1","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 Cl6 Hg3 N8 O2 -","- C36 H58 Cl6 Hg3 N8 O2 -","- C144 H232 Cl24 Hg12 N32 O8 -","4","0.5","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","x-ray","1.54184","CuKα","","0.0603","0.049","","","0.1264","0.1349","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221139","9.641","0.0002","33.6643","0.0007","14.2372","0.0003","90","","92.897","0.002","90","","4614.88","0.17","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56.5 Br6 Hg3 N8 O1.25 -","- C36 H54 Br6 Hg3 N8 O1.25 -","- C144 H216 Br24 Hg12 N32 O5 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54178","CuKα","","0.0542","0.0407","","","0.089","0.0954","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221140","17.4241","0.0003","10.4127","0.0003","26.497","0.001","90","","90","","90","","4807.4","0.2","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H66 Hg2 I N11 O15 -","- C36 H54 Hg2 I N11 O15 -","- C144 H216 Hg8 I4 N44 O60 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54184","CuKα","","0.0393","0.0365","","","0.088","0.0909","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221147","20.7929","0.0008","12.4871","0.0007","19.5025","0.0009","90","","97.329","0.004","90","","5022.3","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H52.5 Cu3 N4 O22.25 -","- C42 H38 Cu3 N4 O16.125 -","- C168 H152 Cu12 N16 O64.5 -","4","1","","Xu, Zhong-Xuan; Wu, Xin; Liu, Juan; Kang, Yao; Zhang, Jian","Synthesis and gas sorption properties of a homochiral metal‒organic framework with octahedral cages","CrystEngComm","2015","17","32","6107","","10.1039/C5CE01094B","","","1.54184","CuKα","","0.0668","0.0549","","","0.133","0.1418","","","","","","1.108","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221148","7.2953","0.0002","17.2658","0.0005","28.4236","0.0007","90","","90","","90","","3580.21","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cu N3 O7 -","- C18 H15 Cu N3 O7 -","- C144 H120 Cu8 N24 O56 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","","","1.5418","CuKα","","0.0494","0.039","","","0.1032","0.1122","","","","","","0.855","","","","has coordinates","301865","2025-08-22","16:16:42",""
"7221149","7.497","0.0005","19.8283","0.0016","23.844","0.0018","90","","90","","90","","3544.5","0.5","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cu N3 O6 -","- C18 H13 Cu N3 O6 -","- C144 H104 Cu8 N24 O48 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","powder diffraction","x-ray","0.827","","","0.1045","0.1031","","0.0976","0.0972","","","","2.84","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221150","14.521","0.003","7.7378","0.0015","15.997","0.003","90","","106.4","0.03","90","","1724.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O5 Zn -","- C16 H16 N4 O5 Zn -","- C64 H64 N16 O20 Zn4 -","4","1","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.0535","0.0424","","","0.0988","0.1034","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221151","16.0364","0.0006","7.6528","0.0003","35.3947","0.0014","90","","99.7638","0.0013","90","","4280.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H44.5 N9.5 O12.5 Zn2 -","- C41.5 H44.5 N9.5 O12.5 Zn2 -","- C166 H178 N38 O50 Zn8 -","4","1","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.0852","0.0518","","","0.1497","0.1744","","","","","","1.022","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221152","16.9909","0.0015","7.6688","0.0007","16.0077","0.0015","90","","102.322","0.002","90","","2037.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.3 H29.45 N9.15 O10 Zn2 -","- C32.3 H29.45 N9.15 O10 Zn2 -","- C64.6 H58.9 N18.3 O20 Zn4 -","2","0.5","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.124","0.0851","","","0.2369","0.2651","","","","","","1.136","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221527","12.6305","0.0012","14.5753","0.0007","22.114","0.003","93.228","0.006","100.746","0.009","98.776","0.006","3937.7","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H0 Cl0 Cu3 N3 O21 P3 -","- C42 H24 Cu3 N3 O21 P3 -","- C84 H48 Cu6 N6 O42 P6 -","2","1","","Ling, Yajing; Song, Chengling; Feng, Yunlong; Zhang, Mingxing; He, Yabing","A metal‒organic framework based on cyclotriphosphazene-functionalized hexacarboxylate for selective adsorption of CO2and C2H6over CH4at room temperature","CrystEngComm","2015","17","33","6314","","10.1039/C5CE00930H","","","1.54184","CuKα","","0.2527","0.1921","","","0.4431","0.491","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221528","9.3226","0.0009","12.5095","0.0012","18.7848","0.0018","90","","94.335","0.002","90","","2184.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Br2 N6 O12 U2 -","- C46 H26 Br2 N6 O12 U2 -","- C92 H52 Br4 N12 O24 U4 -","2","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0269","0.0202","","","0.0417","0.0436","","","","","","1.087","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221529","9.2926","0.0003","12.5893","0.0005","18.697","0.0007","90","","95.618","0.001","90","","2176.81","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Cl2 N6 O12 U2 -","- C46 H26 Cl2 N6 O12 U2 -","- C92 H52 Cl4 N12 O24 U4 -","2","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0297","0.0211","","","0.0405","0.0428","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221530","8.0743","0.0009","11.9715","0.0014","15.0411","0.0017","106.612","0.001","102.208","0.001","100.75","0.001","1313.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 Br2 N12 O14 U2 -","- C52 H30 Br2 N12 O14 U2 -","- C52 H30 Br2 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0823","0.046","","","0.1062","0.1217","","","","","","0.977","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221531","8.0819","0.0006","12.6732","0.001","13.3764","0.001","100.472","0.001","91.219","0.001","98.444","0.001","1331.01","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 Cl2 N12 O16 U2 -","- C52 H30 Cl2 N12 O16 U2 -","- C52 H30 Cl2 N12 O16 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0744","0.0434","","","0.0783","0.0873","","","","","","1.029","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221532","10.534","0.0008","11.5475","0.0008","13.4109","0.001","68.203","0.001","77.871","0.001","87.132","0.001","1480.17","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 I2 N12 O14 U2 -","- C58 H46 I2 N12 O14 U2 -","- C58 H46 I2 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0549","0.042","","","0.1037","0.1105","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221533","7.9974","0.0013","12.0617","0.0019","14.965","0.002","106.548","0.002","101.601","0.002","101.362","0.002","1304.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N12 O14 U2 -","- C54 H36 N12 O14 U2 -","- C54 H36 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0603","0.0473","","","0.116","0.1231","","","","","","1.02","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221534","9.314","0.004","10.897","0.005","14.017","0.006","67.557","0.006","77.931","0.007","85.379","0.007","1285.8","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 N12 O16 S2 U2 -","- C48 H28 N12 O16 S2 U2 -","- C48 H28 N12 O16 S2 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0529","0.0333","","","0.0623","0.0681","","","","","","1.016","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221546","7.6202","0.0008","19.01","0.003","10.1116","0.0008","90","","90.388","0.008","90","","1464.7","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Metacetamol, 3-Acetamidophenol","N-(3-Hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","4","","McGregor, Lindsay; Rychkov, Denis A.; Coster, Paul L.; Day, Sarah; Drebushchak, Valeri A.; Achkasov, Andrei F.; Nichol, Gary S.; Pulham, Colin R.; Boldyreva, Elena V.","A new polymorph of metacetamol","CrystEngComm","2015","17","32","6183","","10.1039/C5CE00910C","","x-ray","1.54178","CuKα","","0.1251","0.1094","","","0.3354","0.3476","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221547","4.789","0.004","25.136","0.019","17.087","0.013","90","","90","","90","","2057","3","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H9 F12 N5 O -","- C20 H9 F12 N5 O -","- C80 H36 F48 N20 O4 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.117","0.0717","","","0.1552","0.1719","","","","","","1.084","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221548","10.1185","0.0018","11.019","0.002","22.947","0.004","90","","90","","90","","2558.5","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H11 F12 N5 -","- C26 H11 F12 N5 -","- C104 H44 F48 N20 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.0881","0.0767","","","0.2019","0.2194","","","","","","0.985","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221549","35.203","0.015","4.925","0.002","30.419","0.013","90","","90","","90","","5274","4","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H15 F12 N5 O -","- C27 H15 F12 N5 O -","- C216 H120 F96 N40 O8 -","8","2","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.163","0.0706","","","0.1403","0.189","","","","","","1.01","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221550","15.5721","0.0011","15.585","0.0011","15.7385","0.0011","66.294","0.001","86.318","0.001","67.269","0.001","3206.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Co2 N8 O19 S4 -","- C64 H44 Co2 N8 O19 S4 -","- C128 H88 Co4 N16 O38 S8 -","2","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0871","0.0513","","","0.1528","0.182","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221566","10.7736","0.0002","15.2684","0.0003","18.6621","0.0003","90","","104.275","0.001","90","","2975.05","0.09","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br O -","- C19 H15 Br O -","- C152 H120 Br8 O8 -","8","2","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0408","0.0292","","","0.075","0.0801","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221567","10.7837","0.0002","15.2773","0.0004","18.8871","0.0004","90","","104.273","0.001","90","","3015.52","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br N -","- C19 H16 Br N -","- C152 H128 Br8 N8 -","8","2","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.034","0.0272","","","0.0733","0.0782","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221568","12.152","0.0003","13.7838","0.0003","9.579","0.0003","90","","90","","90","","1604.49","0.07","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0273","0.0231","","","0.0578","0.0594","","","","","","0.94","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221569","8.9849","0.0006","5.7029","0.0003","17.1999","0.0011","90","","99.978","0.004","90","","867.99","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H20 O -","- C25 H20 O -","- C50 H40 O2 -","2","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0393","0.0358","","","0.0924","0.0952","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221570","15.6058","0.0003","18.7804","0.0004","21.1189","0.0004","68.874","0.001","74.947","0.001","74.08","0.001","5462.16","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O -","- C25 H20 O -","- C300 H240 O12 -","12","6","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0873","0.0521","","","0.1254","0.1522","","","","","","1.005","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221571","11.328","0.005","5.042","0.002","15.578","0.007","90","","109.947","0.011","90","","836.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-phenyl-2-formylpyrrole","5-phenyl-1H-pyrrole-2-carbaldehyde","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0603","0.0443","","","0.1191","0.1279","","","","","","1.065","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221572","8.0139","0.0018","13.509","0.002","10.342","0.002","90","","102.552","0.009","90","","1092.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-(3,5-dimethylphenyl)-2-formylpyrrole","5-(3,5-dimethylphenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1782","0.1218","","","0.2843","0.2996","","","","","","0.897","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221573","13.086","0.002","4.7468","0.0007","19.887","0.003","90","","105.901","0.009","90","","1188","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-(3,5-bis(trifluoromethyl)phenyl)-2-formylpyrrole","5-(3,5-bis(trifluoromethyl)phenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H7 F6 N O -","- C13 H7 F6 N O -","- C52 H28 F24 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0962","0.0446","","","0.0863","0.0972","","","","","","0.948","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221574","8.6799","0.0013","9.8371","0.0013","12.608","0.002","72.477","0.007","70.308","0.005","65.232","0.004","904.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","5-(2,4,6-triisopropylphenyl)-2-formylpyrrole","5-(2,4,6-triisopropylphenyl)-1H-pyrrole-2-carbaldehyde","","- C20 H27 N O -","- C20 H27 N O -","- C40 H54 N2 O2 -","2","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1054","0.0498","","","0.1036","0.1169","","","","","","0.942","","","","has coordinates,has disorder","301865","2025-08-22","16:16:43",""
"7221575","7.9115","0.0007","23.9817","0.0018","11.4591","0.001","90","","96.844","0.003","90","","2158.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-(2,6-dimethylphenyl)-2-formylpyrrole","5-(2,6-dimethylphenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1172","0.0521","","","0.0941","0.1098","","","","","","0.913","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221576","5.5376","0.0003","6.4429","0.0003","27.5008","0.0014","90","","90","","90","","981.18","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-(4-methoxyphenyl)-2-formylpyrrole","5-(4-methoxyphenyl)-1H-pyrrole-2-carbaldehyde","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0656","0.0426","","","0.0818","0.0879","","","","","","1.011","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221577","5.5758","0.0008","6.3791","0.0006","24.493","0.003","90","","90","","90","","871.18","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-(4-fluorophenyl)-2-formylpyrrole","5-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde","","- C11 H8 F N O -","- C11 H8 F N O -","- C44 H32 F4 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.095","0.05","","","0.0785","0.0889","","","","","","0.948","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221578","10.331","0.002","13.446","0.003","16.673","0.003","90","","110.858","0.009","90","","2164.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cd N5 O8 S -","- C17 H21 Cd N5 O8 S -","- C68 H84 Cd4 N20 O32 S4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.057","0.0507","","","0.1252","0.1296","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221579","6.941","0.002","24.44","0.008","13.04","0.004","90","","107.867","0.013","90","","2105.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cd N5 O7 S -","- C18 H21 Cd N5 O7 S -","- C72 H84 Cd4 N20 O28 S4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.1384","0.0871","","","0.1871","0.2101","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221580","8.9864","0.0004","15.9532","0.0008","20.1727","0.001","90","","101.463","0.001","90","","2834.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cd N6 O9 S2 -","- C22 H24 Cd N6 O9 S2 -","- C88 H96 Cd4 N24 O36 S8 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.0327","0.0267","","","0.0656","0.0693","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221581","12.7557","0.0005","15.4715","0.0005","22.2958","0.0008","90","","96.906","0.001","90","","4368.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cd N5 O6 S -","- C19 H21 Cd N5 O6 S -","- C152 H168 Cd8 N40 O48 S8 -","8","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.0363","0.0298","","","0.0634","0.0663","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221582","9.4744","0.0004","17.5789","0.0008","14.41","0.0007","90","","90","","90","","2399.98","0.19","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H22 Cd N6 O8 S -","- C20 H22 Cd N6 O8 S -","- C80 H88 Cd4 N24 O32 S4 -","4","0.5","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.053","0.0443","","","0.1429","0.1556","","","","","","0.873","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221590","13.916","0.0012","13.916","0.0012","21.142","0.004","90","","90","","90","","4094.3","0.9","100","1","100","1","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C38 H24 N2 O8 Si Zn2 -","- C37.9992 H23.9992 N2 O8 Si Zn2 -","- C75.9984 H47.9984 N4 O16 Si2 Zn4 -","2","0.125","","Wang, Jingjing; Zhang, Jun; Jin, Fengyan; Luo, Yanping; Wang, Shufen; Zhang, Zaiyong; Wu, Yong; Liu, Hongke; Lu, Jack Y.; Fang, Min","Synthesis of an exceptional water-stable two-fold interpenetrated Zn(ii)-paddlewheel metal‒organic framework","CrystEngComm","2015","17","31","5906","","10.1039/C5CE01192B","","","0.71073","MoKα","","0.0695","0.0628","","","0.1899","0.1944","","","","","","1.054","","","","has coordinates,has disorder","153109","2020-10-21","18:00:00",""
"7221591","9.7078","0.0003","9.7078","0.0003","21.7592","0.0015","90","","90","","90","","2050.62","0.17","291","2","291","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","Cu-TCS","Cu2TCS(4,4?-bipy)","","- C38 H26 Cu2 N2 O9 Si -","- C38 H26.08 Cu2 N2 O9 Si -","- C76 H52.16 Cu4 N4 O18 Si2 -","2","0.125","","Wang, Jingjing; Zhang, Jun; Jin, Fengyan; Luo, Yanping; Wang, Shufen; Zhang, Zaiyong; Wu, Yong; Liu, Hongke; Lu, Jack Y.; Fang, Min","Synthesis of an exceptional water-stable two-fold interpenetrated Zn(ii)-paddlewheel metal‒organic framework","CrystEngComm","2015","17","31","5906","","10.1039/C5CE01192B","","","0.71073","MoKα","","0.064","0.0471","","","0.1401","0.1503","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221593","11.9816","0.0009","13.5266","0.0006","8.5608","0.0004","90","","90","","90","","1387.45","0.14","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","0.5","","Nemec, Vinko; Škvorc, Nikola; Cinčić, Dominik","Mechanochemical and solution-based cocrystallization of 9,10-phenanthrenequinone and thiourea","CrystEngComm","2015","17","33","6274","","10.1039/C5CE01291K","","","0.71073","MoKα","","0.0622","0.037","","","0.0936","0.0984","","","","","","0.946","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221594","22.31","0.002","71.299","0.007","5.808","0.0007","90","","90","","90","","9238.7","1.7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C432 H352 N32 O64 S16 -","16","1","","He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng","Polymorphism observed in dapsone–flavone cocrystals that present pronounced differences in solubility and stability","CrystEngComm","2015","17","34","6566","","10.1039/C5CE01208B","","","0.71073","MoKα","","0.1092","0.0586","","","0.1566","0.2107","","","","","","1.045","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221595","11.4461","0.0014","11.5142","0.0014","27.13","0.004","102.158","0.008","94.726","0.008","91.906","0.007","3478.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N2 O6 S -","- C42 H32 N2 O6 S -","- C168 H128 N8 O24 S4 -","4","2","","He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng","Polymorphism observed in dapsone–flavone cocrystals that present pronounced differences in solubility and stability","CrystEngComm","2015","17","34","6566","","10.1039/C5CE01208B","","","0.71073","MoKα","","0.1721","0.054","","","0.1048","0.1394","","","","","","0.963","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221607","8.7542","0.0008","16.4242","0.0015","15.9879","0.0015","90","","91.709","0.002","90","","2297.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N4 O7 Zn -","- C23 H26 N4 O7 Zn -","- C92 H104 N16 O28 Zn4 -","4","1","","Kumar, Sandeep; Mandal, Sanjay K.","Capturing the structural diversification upon thermal desolvation of a robust metal organic framework via a single-crystal-to-single-crystal transformation","CrystEngComm","2015","17","46","8801","","10.1039/C5CE01116G","","","0.71073","MoKα","","0.0606","0.0443","","","0.1123","0.1215","","","","","","1.091","","","","has coordinates","173734","2020-10-21","18:00:00",""
"7221608","8.485","0.005","14.529","0.009","14.073","0.008","90","","94.11","0.03","90","","1730.4","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O4 Zn -","- C20 H15 N3 O4 Zn -","- C80 H60 N12 O16 Zn4 -","4","1","","Kumar, Sandeep; Mandal, Sanjay K.","Capturing the structural diversification upon thermal desolvation of a robust metal organic framework via a single-crystal-to-single-crystal transformation","CrystEngComm","2015","17","46","8801","","10.1039/C5CE01116G","","","0.71073","MoKα","","0.1826","0.0817","","","0.1894","0.2307","","","","","","0.98","","","","has coordinates","173734","2020-10-21","18:00:00",""
"7221611","7.7017","0.0003","22.7746","0.0007","11.5195","0.0004","90","","90","","90","","2020.56","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H18 N0 O11 Zn -","- C22 H18 O11 Zn -","- C88 H72 O44 Zn4 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.0402","0.0296","","","0.0674","0.072","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221612","15.1215","0.0013","10.2017","0.0009","22.1609","0.0019","90","","107.281","0.0018","90","","3264.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O8 Zn2 -","- C36 H24 N4 O8 Zn2 -","- C144 H96 N16 O32 Zn8 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.087","0.0541","","","0.1262","0.1423","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221613","15.3901","0.0012","9.9023","0.0008","21.9596","0.0017","90","","105.911","0.003","90","","3218.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O8 Zn2 -","- C36 H24 N4 O8 Zn2 -","- C144 H96 N16 O32 Zn8 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.1057","0.0482","","","0.0963","0.1215","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221614","21.3597","0.0015","10.7751","0.0007","31.118","0.002","90","","92.635","0.002","90","","7154.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H59 Cl N8 O17 Zn4 -","- C76 H59 Cl N8 O17 Zn4 -","- C304 H236 Cl4 N32 O68 Zn16 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.0969","0.0523","","","0.1253","0.1534","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221615","11.0644","0.0005","28.5964","0.0013","10.4332","0.0005","90","","96.5018","0.0015","90","","3279.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cd2 N4 O9 -","- C36 H26 Cd2 N4 O9 -","- C144 H104 Cd8 N16 O36 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.059","0.0462","","","0.1148","0.1236","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221624","17.5235","0.0011","17.5235","0.0011","17.5235","0.0011","90","","90","","90","","5381","0.6","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C12.4 H21.2 Cu3 La O23.7 S1.7 -","- C13.98 Cu3 La O21.5 S2.49 -","- C55.92 Cu12 La4 O86 S9.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","1.54184","CuKα","","0.0752","0.0742","","","0.2191","0.2223","","","","","","1.082","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221625","17.618","0.0002","17.618","0.0002","17.618","0.0002","90","","90","","90","","5468.52","0.11","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C13 H19 Ce Cu3 O22 S2 -","- C10.98 Ce Cu3 O20 S0.99 -","- C43.92 Ce4 Cu12 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1032","0.049","","","0.1106","0.1191","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221626","17.58","0.002","17.58","0.002","17.58","0.002","90","","90","","90","","5433.2","1.1","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C14 H28 Cu3 O25.5 Pr S2.5 -","- C10.98 Cu3 O20 Pr S0.99 -","- C43.92 Cu12 O80 Pr4 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1323","0.084","","","0.2092","0.242","","","","","","0.998","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221627","17.5154","0.0004","17.5154","0.0004","17.5154","0.0004","90","","90","","90","","5373.5","0.2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C15.8 H37.4 Cu3 Nd O28.4 S3.4 -","- C10.98 Cu3 Nd O20 S0.99 -","- C43.92 Cu12 Nd4 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1002","0.0659","","","0.1668","0.1828","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221628","20.2355","0.0009","27.1206","0.0009","23.3255","0.0008","90","","109.709","0.004","90","","12051.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cu6 Eu2 O42 S2 -","- C22 H12 Cu6 Eu2 O42 S2 -","- C176 H96 Cu48 Eu16 O336 S16 -","8","1","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","1.54185","CuKα","","0.1647","0.1454","","","0.3517","0.3867","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221629","16.4455","0.0003","15.0098","0.0005","27.8995","0.0007","79.513","0.002","98.024","0.002","105.156","0.002","6505.5","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H34 Cu N4 O11 V2 -","- C10 H24 Cu N4 O11 V2 -","- C120 H288 Cu12 N48 O132 V24 -","12","6","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.0656","0.0458","","","0.1012","0.1106","","","","","","1.038","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221630","8.0199","0.0002","13.9524","0.0006","14.2588","0.0005","102.032","0.003","101.742","0.003","97.56","0.003","1502.38","0.1","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H30 Cu N4 O9 V2 -","- C10 H24 Cu N4 O9 V2 -","- C30 H72 Cu3 N12 O27 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.0338","0.0292","","","0.0743","0.0776","","","","","","1.051","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221631","8.6253","0.001","12.89","0.002","13.368","0.002","103.208","0.014","106.557","0.012","95.595","0.011","1365.7","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H26.67 Cu N4 O7.33 V2 -","- C10 H24 Cu N4 O7.33333 V2 -","- C30 H72 Cu3 N12 O22 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.1338","0.0886","","","0.1621","0.1828","","","","","","1.132","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221632","8.751","0.002","13.094","0.003","13.363","0.003","102.449","0.018","101.653","0.019","101.148","0.019","1418.8","0.6","393","2","393","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H24 Cu N4 O6 V2 -","- C10 H24 Cu N4 O6 V2 -","- C30 H72 Cu3 N12 O18 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.2426","0.1078","","","0.1866","0.2511","","","","","","1.058","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221636","17.3644","0.0008","16.2122","0.0008","16.2003","0.0008","90","","103.517","0.001","90","","4434.3","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 Pr2 S6 -","- C82 H62 N16 O29 Pr2 S6 -","- C164 H124 N32 O58 Pr4 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0551","0.0393","","","0.0865","0.093","","","","","","1.228","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221637","17.3435","0.0016","16.1923","0.0016","16.0934","0.0014","90","","103.429","0.002","90","","4396","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 S6 Sm2 -","- C82 H62 N16 O29 S6 Sm2 -","- C164 H124 N32 O58 S12 Sm4 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.1014","0.0552","","","0.0968","0.1134","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221638","17.3174","0.0017","16.1834","0.0016","16.066","0.0014","90","","103.431","0.002","90","","4379.4","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Eu2 N16 O29 S6 -","- C82 H62 Eu2 N16 O29 S6 -","- C164 H124 Eu4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.1126","0.0571","","","0.1033","0.1233","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221639","17.2968","0.0015","16.1959","0.0014","16.028","0.0014","90","","103.363","0.002","90","","4368.5","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Gd2 N16 O29 S6 -","- C82 H62 Gd2 N16 O29 S6 -","- C164 H124 Gd4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0797","0.0475","","","0.0875","0.0996","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221640","17.2852","0.0019","16.1853","0.0017","15.9746","0.0017","90","","103.335","0.002","90","","4348.7","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Dy2 N16 O29 S6 -","- C82 H62 Dy2 N16 O29 S6 -","- C164 H124 Dy4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0574","0.0387","","","0.0814","0.0889","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221641","17.2839","0.0008","16.1782","0.0006","16.0035","0.0006","90","","103.316","0.001","90","","4354.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 S6 Tb2 -","- C82 H62 N16 O29 S6 Tb2 -","- C164 H124 N32 O58 S12 Tb4 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.06","0.0375","","","0.0769","0.0859","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221642","17.4695","0.0003","8.64315","0.00013","19.7657","0.0003","90","","90","","90","","2984.45","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H11 N5 O2 Zn -","- C17 H11 N5 O2 Zn -","- C136 H88 N40 O16 Zn8 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","1.5418","CuKα","","0.026","0.0237","","","0.0638","0.0653","","","","","","1.053","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221643","18.58","0.004","9.962","0.002","32.732","0.008","90","","90","","90","","6058","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N9 O6 Zn2 -","- C28 H25 N9 O6 Zn2 -","- C224 H200 N72 O48 Zn16 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","0.71073","MoKα","","0.0408","0.0342","","","0.0853","0.0881","","","","","","1.114","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221644","30.19","0.005","19.637","0.003","16.038","0.003","90","","108.829","0.003","90","","8999","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C91 H199 Co3 N13 O71 -","- C64 H50 Co3 N4 O19 -","- C256 H200 Co12 N16 O76 -","4","0.5","","Li, Jian-Ping; Ma, Yu-Qin; Geng, Li-Hua; Li, Yun-Hui; Yi, Fei-Yan","A highly stable porous multifunctional Co(ii) metal‒organic framework showing excellent gas storage applications and interesting magnetic properties","CrystEngComm","2015","17","34","6471","","10.1039/C5CE01123J","","","0.71073","MoKα","","0.1405","0.0896","","","0.2452","0.2841","","","","","","0.96","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221645","7.6681","0.0008","31.909","0.003","15.4268","0.0016","90","","90","","90","","3774.7","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Cu6 I4 N8 O11 -","- C20 H18 Cu6 I4 N8 O11 -","- C80 H72 Cu24 I16 N32 O44 -","4","0.5","","Ding, Yu-Jia; Zhang, Chun-Pei; Wang, Yong-Qing; Lin, Xiao-Ming; Zhu, Ximiao; Zhang, Da-Liang; Duan, Xian-Jian; Cai, Yue-Peng","A versatile CuII/CuImetal‒organic framework for selective sorption and heterogeneous catalysis","CrystEngComm","2015","17","35","6693","","10.1039/C5CE01041A","","","0.71073","MoKα","","0.0583","0.0422","","","0.108","0.1149","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221646","10.214","0.003","14.064","0.003","14.282","0.004","75.127","0.011","87.917","0.012","79.52","0.013","1949.7","0.9","97","","97","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Rh4 -","- C56 F24 N4 O16 Rh4 -","- C56 F24 N4 O16 Rh4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.71075","MoKα","","0.1847","0.1064","","","0.2782","0.3529","","","","","","1.035","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221647","10.1283","0.0014","13.8996","0.0013","14.2922","0.0018","74.962","0.008","87.263","0.009","79.42","0.008","1910.1","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Rh4 -","- C56 H24 F24 N4 O16 Rh4 -","- C56 H24 F24 N4 O16 Rh4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.0657","0.0533","","","0.1741","0.19","","","","","","1.058","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221648","10.406","0.01","14.261","0.013","14.52","0.015","74.7","0.03","88.45","0.04","79.38","0.04","2042","3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Ru4 -","- C56 H4 F24 N4 O16 Ru4 -","- C56 H4 F24 N4 O16 Ru4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.1579","0.1069","","","0.2891","0.353","","","","","","1.041","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221649","10.0773","0.0017","13.935","0.002","14.259","0.002","74.988","0.005","86.579","0.006","79.096","0.006","1899","0.5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H28 Cl8 F24 N4 O16 Ru4 -","- C60 H24 Cl8 F24 N4 O16 Ru4 -","- C60 H24 Cl8 F24 N4 O16 Ru4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.0848","0.0543","","","0.1306","0.1577","","","","","","1.008","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221650","4.8741","","4.8741","","4.8741","","90","","90","","90","","115.793","","503","","503","","","","","","","","Institute of Solid State Chemistry, Ekaterinburg (Russia)","2","I m -3 m","-I 4 2 3","229","Argentite","Silver sulfide","Argentite","- Ag2 S -","- Ag2.00001 S -","- Ag4.00002 S2 -","2","0.0208333","","Sadovnikov, S. I.; Gusev, A. I.; Rempel, A. A.","An in situ high-temperature scanning electron microscopy study of acanthite-argentite phase transformation in nanocrystalline silver sulfide powder.","Physical chemistry chemical physics : PCCP","2015","17","32","20495","20501","10.1039/c5cp02499d","powder diffraction","x-ray","1.54188","CuKα","","","0.00754","","","","0.02071","","0.00754","1.872","","","1.872","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221656","9.2206","0.0018","14.881","0.003","15.697","0.003","115.13","0.03","92.57","0.03","99.02","0.03","1910.8","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Co2 N8 O8 -","- C40 H36 Co2 N8 O8 -","- C80 H72 Co4 N16 O16 -","2","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0856","0.052","","","0.1017","0.1159","","","","","","1.006","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221657","26.01","0.011","10.83","0.005","15.972","0.007","90","","90.758","0.007","90","","4499","3","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H52 Cu2 N8 O16 -","- C40 H52 Cu2 N8 O16 -","- C160 H208 Cu8 N32 O64 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.058","0.0396","","","0.1037","0.1122","","","","","","1.032","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221658","24.081","0.008","6.4039","0.0008","16.283","0.004","90","","121.64","0.04","90","","2137.8","1.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 Ag N4 O6 -","- C20 H23 Ag N4 O6 -","- C80 H92 Ag4 N16 O24 -","4","0.5","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0976","0.0655","","","0.1829","0.2105","","","","","","1.092","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221659","13.2788","0.0002","8.3693","0.0001","16.8959","0.0004","90","","102.025","0.002","90","","1836.51","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O4 Zn -","- C20 H18 N4 O4 Zn -","- C80 H72 N16 O16 Zn4 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0426","0.0349","","","0.0844","0.0887","","","","","","1.003","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221660","27.288","0.004","27.288","0.004","32.044","0.006","90","","90","","120","","20664","6","294","2","294","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C240 H232 Cd12 N48 O56 -","- C240 H232 Cd12 N48 O56 -","- C720 H695.999 Cd36 N144 O168 -","3","0.166667","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0509","0.0421","","","0.1055","0.1069","","","","","","1.091","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221661","14.897","0.008","10.377","0.006","8.216","0.005","90","","90.647","0.008","90","","1270","1.3","294","2","294","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C10 H10 Cl2 Hg N2 O2 -","- C10 H10 Cl2 Hg N2 O2 -","- C40 H40 Cl8 Hg4 N8 O8 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0268","0.0221","","","0.0654","0.0676","","","","","","1.043","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221662","12.8075","0.0005","9.6355","0.0003","15.8732","0.0007","90","","96.659","0.0018","90","","1945.64","0.13","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C23 H29 N O -","- C23 H29 N O -","- C92 H116 N4 O4 -","4","1","","Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C.","Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study.","Physical chemistry chemical physics : PCCP","2015","17","32","20903","20911","10.1039/c5cp03222a","","","0.71073","MoKα","","0.0902","0.0675","","","0.1603","0.18","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221663","13.2115","0.0006","9.4084","0.0004","18.0693","0.0007","90","","107.007","0.003","90","","2147.78","0.16","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H29 N3 -","- C26 H29 N3 -","- C104 H116 N12 -","4","1","","Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C.","Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study.","Physical chemistry chemical physics : PCCP","2015","17","32","20903","20911","10.1039/c5cp03222a","","","0.71073","MoKα","","0.0771","0.0581","","","0.1367","0.1517","","","","","","1.101","","","","has coordinates","301865","2025-08-22","16:16:43",""
"7221672","15.823","0.017","9.588","0.01","17.462","0.019","90","","114.623","0.013","90","","2408","4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.2985","0.1377","","","0.1868","0.2393","","","","","","1.125","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221673","17.097","0.015","8.764","0.007","17.682","0.016","90","","117.686","0.009","90","","2346","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.163","0.0848","","","0.1616","0.195","","","","","","1.088","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221674","17.149","0.014","8.78","0.007","17.692","0.014","90","","117.636","0.008","90","","2360","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.1784","0.088","","","0.1776","0.2169","","","","","","1.082","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221680","9.2264","0.0007","31.583","0.003","13.1257","0.001","90","","105.764","0.003","90","","3680.9","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 Cl6 N16 O21 -","- C60 H66 Cl6 N16 O21 -","- C120 H132 Cl12 N32 O42 -","2","0.5","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","0.71073","MoKα","","0.084","0.0798","","0.0815","0.0747","0.0721","","","","","","1.0484","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221681","10.7229","0.0001","34.3062","0.0004","15.2099","0.0002","90","","114.8","0.001","90","","5079.15","0.11","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H49 Cl4 N7 O15 -","- C46 H49 Cl4 N7 O15 -","- C184 H196 Cl16 N28 O60 -","4","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0747","0.0716","","0.0873","0.0864","0.0861","","","","","","0.9676","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221682","13.3011","0.0004","24.6348","0.0006","7.1285","0.0002","90","","96.565","0.003","90","","2320.48","0.11","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N6 O13 -","- C19 H26 N6 O13 -","- C76 H104 N24 O52 -","4","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N–H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0373","0.0358","","0.0426","0.0417","0.0413","","","","","","1.0385","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221683","38.2977","0.0005","38.2977","0.0005","22.9827","0.0004","90","","90","","90","","33709","0.9","110","","110","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C29 H38 N4 O17 -","- C29 H28 N4 O12 -","- C1160 H1120 N160 O480 -","40","2.5","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0803","0.0743","","0.0838","0.0811","0.0803","","","","","","1.0691","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221684","10.3014","0.0006","12.5123","0.0008","17.7504","0.001","94.575","0.005","97.802","0.005","104.605","0.005","2177.9","0.2","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H51 N5 O17 -","- C44 H45 N5 O17 -","- C88 H90 N10 O34 -","2","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0994","0.0799","","0.1044","0.0927","0.0912","","","","","","1.1182","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221688","18.985","0.003","18.985","0.003","68.34","0.014","90","","90","","120","","21332","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_origin","","","- C114 H122 N14 O34 Zn8 -","- C90 H66 N6 O26 Zn8 -","- C540 H396 N36 O156 Zn48 -","6","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.7","synchrotron","","0.0757","0.0551","","","0.1717","0.1835","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221689","19.168","0.003","19.168","0.003","67.695","0.013","90","","90","","120","","21540","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_benzene","","","- C366 H318 N12 O52 Zn16 -","- C198 H150 N12 O52 Zn16 -","- C594 H450 N36 O156 Zn48 -","3","0.166667","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.70001","synchrotron","","0.0685","0.0563","","","0.1711","0.1783","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221690","18.653","0.003","18.653","0.003","65.066","0.013","90","","90","","120","","19606","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_hexane","","","- C63 H75 N3 O13 Zn4 -","- C63 H75 N3 O13 Zn4 -","- C756 H900 N36 O156 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.67999","synchrotron","","0.0819","0.0575","","","0.1516","0.1753","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221691","18.118","0.003","18.118","0.003","67.542","0.014","90","","90","","120","","19201","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_MeOH","","","- C54 H77 N3 O26 Zn4 -","- C51 H57 N3 O20 Zn4 -","- C612 H684 N36 O240 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.64999","synchrotron","","0.1447","0.1078","","","0.3161","0.3361","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221692","7.668","0.0005","8.3022","0.0006","13.5405","0.0006","83.606","0.005","81.922","0.005","70.403","0.006","802.11","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 Cl2 N2 O2 Ru -","- C15 H14 Cl2 N2 O2 Ru -","- C30 H28 Cl4 N4 O4 Ru2 -","2","1","","Gupta, Kavita; Tyagi, Deepika; Dwivedi, Ambikesh D.; Mobin, Shaikh M.; Singh, Sanjay K.","Catalytic transformation of bio-derived furans to valuable ketoacids and diketones by water-soluble ruthenium catalysts","Green Chem.","2015","17","9","4618","","10.1039/C5GC01376C","","","1.5418","CuKα","","0.0493","0.0489","","","0.1363","0.1368","","","","","","1.093","","","","has coordinates","162006","2020-10-21","18:00:00",""
"7221693","17.072","0.0002","12.3086","0.0001","9.1013","0.0001","90","","100.9","0.001","90","","1877.97","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl2 N2 Ru -","- C19 H22 Cl2 N2 Ru -","- C76 H88 Cl8 N8 Ru4 -","4","1","","Gupta, Kavita; Tyagi, Deepika; Dwivedi, Ambikesh D.; Mobin, Shaikh M.; Singh, Sanjay K.","Catalytic transformation of bio-derived furans to valuable ketoacids and diketones by water-soluble ruthenium catalysts","Green Chem.","2015","17","9","4618","","10.1039/C5GC01376C","","","1.5418","CuKα","","0.0271","0.0267","","","0.0705","0.0709","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221696","9.2565","0.0014","10.1736","0.0015","15.405","0.002","95.282","0.003","105.188","0.002","91.394","0.002","1392.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H56 Co5 N8 O30 P2 -","- C46 H56 Co5 N8 O30 P2 -","- C46 H56 Co5 N8 O30 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0443","0.0327","","","0.0791","0.0829","","","","","","1.002","","","","has coordinates,has disorder","173739","2020-10-21","18:00:00",""
"7221697","9.196","0.006","10.084","0.006","15.198","0.009","73.07","0.012","88.636","0.012","89.664","0.012","1347.9","1.4","373","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Co5 N8 O22 P2 -","- C46 H40 Co5 N8 O22 P2 -","- C46 H40 Co5 N8 O22 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0963","0.056","","","0.1292","0.1425","","","","","","1.001","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221698","10.1032","0.0008","9.2299","0.0007","31.773","0.003","90","","107.486","0.002","90","","2826","0.4","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0569","0.0403","","","0.0863","0.0965","","","","","","0.999","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221699","9.247","0.004","9.97","0.005","15.025","0.008","100.151","0.009","91.372","0.009","91.776","0.009","1362.2","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 Co5 N8 O28 P2 -","- C46 H52 Co5 N8 O28 P2 -","- C46 H52 Co5 N8 O28 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0998","0.0483","","","0.072","0.0802","","","","","","1.002","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221715","12.5772","0.0015","13.5174","0.0019","13.8758","0.0014","88.395","0.01","88.618","0.009","89.946","0.01","2357.4","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 Co N11 O6 -","- C48 H51 Co N11 O6 -","- C96 H102 Co2 N22 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0723","0.0525","","","0.1216","0.1349","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221716","12.582","0.0005","13.4972","0.0007","13.9527","0.0005","88.824","0.004","88.632","0.003","89.748","0.004","2368.28","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 N11 Ni O6 -","- C48 H51 N11 Ni O6 -","- C96 H102 N22 Ni2 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0567","0.0426","","","0.1003","0.109","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221717","10.5901","0.0009","12.6454","0.001","14.7745","0.0012","72.448","0.007","82.861","0.007","88.524","0.007","1871.7","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H39 Cu N7 O6 -","- C40 H39 Cu N7 O6 -","- C80 H78 Cu2 N14 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0503","0.0381","","","0.0847","0.0917","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221718","23.5066","0.0006","12.391","0.0003","29.062","0.002","90","","109.306","0.008","90","","7988.9","0.7","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H78 Cl2 Co4 N12 O22 -","- C78 H78 Cl2 Co4 N12 O22 -","- C312 H312 Cl8 Co16 N48 O88 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71075","MoKα","","0.0995","0.069","","","0.1874","0.209","","","","","","1.028","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221719","15.0627","0.0005","15.0627","0.0005","33.6307","0.0016","90","","90","","90","","7630.3","0.5","173","2","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O20 -","- C76 H76 Co4 N12 O20 -","- C304 H304 Co16 N48 O80 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0652","0.0485","","","0.1378","0.15","","","","","","1.098","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221720","15.0145","0.0004","15.0145","0.0004","33.6543","0.0011","90","","90","","90","","7586.9","0.4","173","","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O24 -","- C76 H76 Co4 N12 O24 -","- C304 H304 Co16 N48 O96 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.077","0.0515","","","0.1477","0.1631","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221721","12.6956","0.0004","14.4449","0.0004","22.4981","0.0007","77.797","0.002","79.842","0.002","72.698","0.003","3821.6","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 Co N8 O8 -","- C42 H39 Co N8 O8 -","- C168 H156 Co4 N32 O32 -","4","2","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.145","0.0746","","","0.1315","0.1562","","","","","","1.023","","","","has coordinates,has disorder","301865","2025-08-22","16:16:44",""
"7221722","27.0155","0.0019","13.565","0.0009","36.028","0.003","90","","97.0327","0.0008","90","","13103.7","1.7","100","","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C60 H66 Cl N9 Ni2 O16 -","- C60 H66 Cl N9 Ni2 O16 -","- C480 H528 Cl8 N72 Ni16 O128 -","8","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71075","MoKα","","0.0912","0.0709","","","0.204","0.2176","","","","","","1.04","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221723","23.7809","0.0003","19.3947","0.0003","21.4148","0.0002","90","","97.9199","0.0012","90","","9782.8","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H102 Cl2 Cu4 N12 O28 -","- C84 H102 Cl2 Cu4 N12 O28 -","- C336 H408 Cl8 Cu16 N48 O112 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0779","0.0545","","","0.1529","0.1682","","","","","","1.075","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221724","11.7862","0.0005","21.7148","0.0008","16.764","0.0006","90","","101.32","0.004","90","","4207","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Cl2 Co4 N2 O14 -","- C36 H50 Cl2 Co4 N2 O14 -","- C144 H200 Cl8 Co16 N8 O56 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0517","0.0372","","","0.085","0.0938","","","","","","1.039","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221734","17.6278","0.0007","8.6461","0.0004","21.0723","0.0008","90","","105.829","0.0019","90","","3089.9","0.2","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N6 O2 -","- C34 H30 N6 O2 -","- C136 H120 N24 O8 -","4","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.2845","0.1116","","","0.1468","0.209","","","","","","1.212","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221735","7.47796","0.00015","8.7915","0.00016","10.00729","0.00018","67.6476","0.001","72.0277","0.001","80.1605","0.001","577.708","0.019","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N6 O2 -","- C24 H26 N6 O2 -","- C24 H26 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0565","","","","0.1959","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221736","8.7038","0.0004","9.2191","0.0004","10.0892","0.0005","110.554","0.003","110.343","0.002","97.368","0.003","681.26","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N6 O2 -","- C28 H34 N6 O2 -","- C28 H34 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.3279","0.0987","","","0.2117","0.3459","","","","","","0.879","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221737","8.572","0.0003","9.4914","0.0003","10.6283","0.0003","115.267","0.0012","98.1638","0.0014","102.707","0.0014","735.06","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0619","","","","0.2556","","","","","","1.134","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221738","8.4017","0.0002","10.0488","0.0003","10.0892","0.0003","95.1228","0.0012","102.045","0.0013","108.349","0.0012","779.59","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0566","","","","0.1945","","","","","","1.11","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221739","8.6252","0.0003","10.9509","0.0005","11.562","0.0007","94.067","0.004","93.088","0.004","112.605","0.004","1001.73","0.09","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.0652","0.0523","","","0.1508","0.1656","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221741","16.2712","0.0004","16.2712","0.0004","17.2772","0.0008","90","","90","","120","","3961.3","0.2","296","2","296","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C51 H43 Co7 O43.5 -","- C51 H15 Co7 O43.5 -","- C102 H30 Co14 O87 -","2","0.333333","","Zhao, Jun; Liu, Bo; Wu, Ya-Pan; Bai, Liang; Zhang, Jian; Li, Dong-Sheng","[Co(H2O)6]2+and H3O+encapsulated in a unique 3D anionic Co(ii) framework with hydrophilic hexagonal and circular channels","CrystEngComm","2015","17","37","7034","","10.1039/C5CE01028D","","","0.71073","MoKα","","0.0538","0.0534","","","0.1566","0.1572","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221744","5.6561","0.0006","11.4126","0.0012","12.2064","0.0012","116.614","0.001","91.131","0.002","104.114","0.002","675.58","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Cl I N4 O2 S -","- C10 H11 Cl I N4 O2 S -","- C20 H22 Cl2 I2 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0708","0.0479","","","0.1082","0.1199","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221745","5.7185","0.0003","11.644","0.0006","12.3493","0.0006","116.697","0.0006","91.7117","0.0006","104.17","0.0007","702.94","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Br I N4 O2 S -","- C10 H11 Br I N4 O2 S -","- C20 H22 Br2 I2 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0555","0.039","","","0.0892","0.0965","","","","","","0.983","","","","has coordinates,has disorder","301865","2025-08-22","16:16:44",""
"7221746","5.7078","0.0005","11.5383","0.001","12.198","0.001","62.864","0.001","79.418","0.0012","76.98","0.0012","693.5","0.1","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Br N4 O3 S -","- C11 H14 Br N4 O3 S -","- C22 H28 Br2 N8 O6 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0399","0.0357","","","0.0822","0.0848","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221747","5.709","0.003","11.532","0.006","12.116","0.006","62.675","0.008","79.693","0.009","77.507","0.009","689","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Br2 N8 O5 S2 -","- C22 H28 Br2 N8 O5 S2 -","- C22 H28 Br2 N8 O5 S2 -","1","0.5","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.082","0.0551","","","0.1073","0.1182","","","","","","0.999","","","","has coordinates,has disorder","301865","2025-08-22","16:16:44",""
"7221748","5.7879","0.0014","11.983","0.003","12.568","0.003","61.725","0.003","87.456","0.002","76.227","0.002","743.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 I2 N4 O2 S -","- C10 H11 I2 N4 O2 S -","- C20 H22 I4 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.065","0.0428","","","0.0873","0.0969","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221749","8.0577","0.0009","10.8694","0.0012","11.7471","0.0013","84.291","0.002","74.23","0.002","85.792","0.002","984.05","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 I3 N4 O4 S -","- C12 H17 I3 N4 O4 S -","- C24 H34 I6 N8 O8 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.036","0.0312","","","0.0754","0.0788","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221750","8.004","0.002","11.247","0.003","11.473","0.003","83.925","0.004","89.442","0.004","72.371","0.004","978.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 I5 N4 O2 S -","- C10 H11 I5 N4 O2 S -","- C20 H22 I10 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0633","0.0475","","","0.1162","0.1252","","","","","","1.07","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221751","7.8759","0.0001","5.7834","0.0001","13.323","0.0002","90","","93.877","0.001","90","","605.467","0.016","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd–even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0324","0.0303","","","0.0826","0.0853","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221752","5.8912","0.0001","7.9258","0.0002","28.6878","0.0005","90","","90","","90","","1339.5","0.05","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd–even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0589","0.041","","","0.1358","0.1536","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221753","8.1459","0.0009","5.8321","0.0006","15.364","0.0012","90","","102.919","0.005","90","","711.43","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd–even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0845","0.0498","","","0.1366","0.1646","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221754","5.6809","0.0012","8.0485","0.0017","33.742","0.007","90","","90","","90","","1542.8","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd–even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0753","0.0505","","","0.1393","0.1551","","","","","","1.068","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221755","8.067","0.002","5.7361","0.0015","17.495","0.005","90","","100.528","0.004","90","","795.9","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd–even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1394","0.0509","","","0.0782","0.0976","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221756","5.806","0.004","8.297","0.006","37.02","0.02","90","","90","","90","","1783","2","566","2","566","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd–even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1118","0.0694","","","0.2","0.2304","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221757","15.455","0.005","15.455","0.005","56.103","0.004","90","","90","","120","","11605","5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Ce2(dipic)6(NO3)]?18H2O","","- C42 H79 Ce2 N7 Na6 O57 -","- C42 H18 Ce2 N7 Na6 O57 -","- C252 H108 Ce12 N42 Na36 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0579","0.055","","","0.172","0.1766","","","","","","1.055","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221758","15.4376","0.0016","15.4376","0.0016","56.468","0.005","90","","90","","120","","11654","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Pr2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 O57 Pr2 -","- C42 H18 N7 Na6 O57 Pr2 -","- C252 H108 N42 Na36 O342 Pr12 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0757","0.0717","","","0.1955","0.1999","","","","","","1.097","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221759","15.403","0.0007","15.403","0.0007","56.461","0.005","90","","90","","120","","11600.9","1.3","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Nd2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 Nd2 O57 -","- C42 H18 N7 Na6 Nd2 O57 -","- C252 H108 N42 Na36 Nd12 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0733","0.0694","","","0.1882","0.1916","","","","","","1.066","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221760","15.4098","0.0006","15.4098","0.0006","55.88","0.004","90","","90","","120","","11491.6","1","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","[Na6(H2O)12Ce2(dipic)6]?21H2O","","- C21 H45 Ce N3 Na3 O30 -","- C21 H9 Ce N3 Na3 O31.5 -","- C252 H108 Ce12 N36 Na36 O378 -","12","0.333333","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na–Ln–dipic system – encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.1121","0.1037","","","0.3783","0.4227","","","","","","2.066","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7221761","6.5261","0.0003","7.3488","0.0003","7.6401","0.0003","96.998","0.003","100.396","0.003","113.411","0.003","323.04","0.03","296","2","293","2","","","","","","","","5","P -1","-P 1","2","4-iodo-5-methylisoxazol-3-amine","4-iodo-5-methylisoxazol-3-amine","","- C4 H5 I N2 O -","- C4 H5 I N2 O -","- C8 H10 I2 N4 O2 -","2","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0256","0.0219","","","0.0511","0.0531","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221762","6.9082","0.0003","12.2055","0.0007","14.282","0.0008","90","","90","","90","","1204.23","0.11","296","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-chloro-5-methylisoxazol-3-amine","4-chloro-5-methylisoxazol-3-amine","","- C4 H5 Cl N2 O -","- C4 H5 Cl N2 O -","- C32 H40 Cl8 N16 O8 -","8","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0557","0.0467","","","0.1322","0.1455","","","","","","1.058","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221763","6.4176","0.0007","7.1023","0.0009","7.537","0.001","94.502","0.008","100.535","0.007","115.558","0.006","299.86","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-bromo-5-methylisoxazol-3-amine","4-bromo-5-methylisoxazol-3-amine","","- C4 H5 Br N2 O -","- C4 H5 Br N2 O -","- C8 H10 Br2 N4 O2 -","2","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0331","0.0236","","","0.0575","0.061","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221777","45.2139","0.0005","20.4624","0.0002","28.0974","0.0003","90","","100.59","0.0012","90","","25552.5","0.5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H130 Cl1.5 Dy2 F24 N9.5 O18 -","- C116 H130 Cl1.5 Dy2 F24 N9.5 O18 -","- C928 H1040 Cl12 Dy16 F192 N76 O144 -","8","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0742","0.0593","","","0.1665","0.1802","","","","","","1.028","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221778","12.1694","0.0004","19.7909","0.0005","21.6427","0.0006","66.933","0.003","75.128","0.003","87.379","0.002","4626.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C95 H72.5 Dy2 F18 N7.5 O14 -","- C95 H72.5 Dy2 F18 N7.5 O14 -","- C190 H145 Dy4 F36 N15 O28 -","2","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0432","0.0338","","","0.0849","0.0906","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221779","8.2376","0.0006","8.5362","0.0007","10.4219","0.0009","94.615","0.007","98.69","0.007","99.967","0.007","709.21","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C34 H34 N2 O4 -","2","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0739","0.0476","","","0.1089","0.1295","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221785","8.2085","0.0012","9.8703","0.0014","17.3769","0.0019","83.411","0.01","82.267","0.01","73.463","0.013","1333","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu2 N4 O8 S2 -","- C26 H24 Cu2 N4 O8 S2 -","- C52 H48 Cu4 N8 O16 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.1579","0.0939","","","0.1892","0.2334","","","","","","1.033","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221786","8.2505","0.0008","10.2487","0.0011","16.795","0.002","86.545","0.006","86.59","0.006","75.057","0.005","1368.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Ag2 N4 O8 S2 -","- C26 H24 Ag2 N4 O8 S2 -","- C52 H48 Ag4 N8 O16 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.0448","0.0327","","","0.0708","0.0774","","","","","","0.999","","","","has coordinates,has disorder","171008","2020-10-21","18:00:00",""
"7221787","10.645","0.002","15.367","0.003","19.59","0.004","80.844","0.01","83.69","0.011","85.182","0.01","3137.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu4 N16 O18 S4 -","- C52 H40 Cu4 N16 O18 S4 -","- C104 H80 Cu8 N32 O36 S8 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.119","0.0588","","","0.1407","0.1691","","","","","","1.021","","","","has coordinates,has disorder","171008","2020-10-21","18:00:00",""
"7221788","7.0225","0.0007","13.2448","0.0014","19.1007","0.0018","71.555","0.004","79.412","0.002","74.632","0.002","1615.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Ag2 N8 O10 S2 -","- C26 H28 Ag2 N8 O10 S2 -","- C52 H56 Ag4 N16 O20 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.2282","0.0585","","","0.0638","0.0888","","","","","","0.973","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221789","7.399","0.003","18.503","0.006","12.632","0.005","90","","98.79","0.02","90","","1709.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H12 Ag N2 O5 S -","- C15 H12 Ag N2 O5 S -","- C60 H48 Ag4 N8 O20 S4 -","4","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.28","0.0931","","","0.208","0.286","","","","","","0.918","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221790","14.5639","0.0006","14.7235","0.0006","19.5511","0.0008","72.143","0.002","70.919","0.002","77.78","0.002","3742.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H82 Ag4 N8 O21 S4 -","- C64 H82 Ag4 N8 O21 S4 -","- C128 H164 Ag8 N16 O42 S8 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.1918","0.0589","","","0.1131","0.1507","","","","","","0.952","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221791","8.658","0.0006","10.2661","0.0007","13.9044","0.0009","76.212","0.001","72.962","0.001","72.097","0.001","1109.39","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 Cl0 Co N10 O14 -","- C50 H36 Co N10 O14 -","- C50 H36 Co N10 O14 -","1","0.5","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0411","0.0342","","","0.0957","0.1007","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221792","7.2427","0.0004","25.0077","0.0014","15.4019","0.0008","90","","99.477","0.001","90","","2751.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl0 Co N5 O13 -","- C26 H23 Co N5 O13 -","- C104 H92 Co4 N20 O52 -","4","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0749","0.0559","","","0.1495","0.1631","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221793","10.0924","0.0006","11.0595","0.0007","13.9619","0.0008","66.831","0.001","83.421","0.001","71.279","0.001","1356.77","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl0 Co N4 O11 -","- C26 H26 Co N4 O11 -","- C52 H52 Co2 N8 O22 -","2","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0615","0.0412","","","0.0976","0.1072","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221794","10.0129","0.0019","10.724","0.002","13.961","0.003","73.385","0.003","73.609","0.004","64.888","0.003","1278.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl0 Co N4 O11 -","- C26 H24 Co N4 O11 -","- C52 H48 Co2 N8 O22 -","2","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0872","0.0685","","","0.1969","0.2136","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221795","9.9555","0.0006","16.481","0.001","16.1393","0.001","90","","100.673","0.001","90","","2602.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl0 Co N4 O9 -","- C27 H22 Co N4 O9 -","- C108 H88 Co4 N16 O36 -","4","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.055","0.0385","","","0.0986","0.1077","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221796","12.6867","0.0007","27.5595","0.0015","15.8184","0.0008","90","","90","","90","","5530.7","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H46 Co3 N8 O24 -","- C54 H42 Co3 N8 O22 -","- C216 H168 Co12 N32 O88 -","4","0.5","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0941","0.0783","","","0.1602","0.1676","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221797","14.5284","0.0019","15.754","0.002","16.91","0.002","90","","93.141","0.002","90","","3864.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N8 O44 Si W12 -","- C52 H52 N8 O44 Si W12 -","- C104 H104 N16 O88 Si2 W24 -","2","0.5","","Han, Zhan-Gang; Liu, Yun-Ping; Zhao, Xiao-Fang; Yan, Jin-Shuang; Zhai, Xue-Liang","Polyanionic clusters embedded in lattice-type hydrogen bonding networks involving in situ bond activation and coupling of organic cations","CrystEngComm","2015","17","38","7339","","10.1039/C5CE01220A","","","0.71073","MoKα","","0.0802","0.0544","","","0.1148","0.1299","","","","","","1.043","","","","has coordinates","171017","2020-10-21","18:00:00",""
"7221798","21.61","0.003","21.283","0.003","16.8259","0.0019","90","","99.207","0.002","90","","7639","1.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 Al Co N8 O43 W12 -","- C52 H38 Al Co N8 O43 W12 -","- C208 H152 Al4 Co4 N32 O172 W48 -","4","0.5","","Han, Zhan-Gang; Liu, Yun-Ping; Zhao, Xiao-Fang; Yan, Jin-Shuang; Zhai, Xue-Liang","Polyanionic clusters embedded in lattice-type hydrogen bonding networks involving in situ bond activation and coupling of organic cations","CrystEngComm","2015","17","38","7339","","10.1039/C5CE01220A","","","0.71073","MoKα","","0.0913","0.073","","","0.167","0.1759","","","","","","1.069","","","","has coordinates","171017","2020-10-21","18:00:00",""
"7221799","18.53745","0.00008","18.53745","0.00008","18.53745","0.00008","90","","90","","90","","6370.15","0.05","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-praseodymium(iii)","","- C6 H6 F18 N3 O15 Pr S6 -","- C6 F18 N3 O15 Pr S6 -","- C48 F144 N24 O120 Pr8 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0542","0.0519","","","0.1233","0.1244","","","","","","1.185","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221800","15.5598","0.0015","15.5598","0.0015","8.2562","0.0009","90","","90","","120","","1731.1","0.3","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-lanthanum(iii)hemi(pentahydrate)","","- C6 H11 F18 La N3 O17.5 S6 -","- C6 F18 La N3 O17.52 S6 -","- C12 F36 La2 N6 O35.04 S12 -","2","0.333333","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.099","0.095","","","0.2136","0.2155","","","","","","1.187","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221801","18.4695","0.0002","18.4695","0.0002","18.4695","0.0002","90","","90","","90","","6300.36","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-neodinium(iii)","","- C6 H6 F18 N3 Nd O15 S6 -","- C6 H6 F18 N3 Nd O15 S6 -","- C48 H48 F144 N24 Nd8 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","x-ray","0.71073","MoKα","","0.0497","0.0439","","","0.1054","0.1099","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221802","8.8946","0.0004","19.9678","0.001","18.779","0.0008","90","","98.166","0.005","90","","3301.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Heptaaqua-scandium(iii) tris(bis(trifluoromethylsulfonyl)imide) hydrate","","- C6 H16 F18 N3 O20 S6 Sc -","- C6 H16 F18 N3 O20 S6 Sc -","- C24 H64 F72 N12 O80 S24 Sc4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0402","0.0318","","","0.0695","0.0736","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221803","12.9489","0.0003","18.4605","0.0005","12.9858","0.0003","90","","94.507","0.002","90","","3094.57","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-samarium(iii)","","- C6 H10 F18 N3 O17 S6 Sm -","- C6 H10 F18 N3 O17 S6 Sm -","- C24 H40 F72 N12 O68 S24 Sm4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0265","0.0222","","","0.0503","0.0527","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221804","18.3973","0.0002","18.3973","0.0002","18.3973","0.0002","90","","90","","90","","6226.76","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-gadolinium(iii)","","- C6 H6 F18 Gd N3 O15 S6 -","- C6 H6 F18 Gd N3 O15 S6 -","- C48 H48 F144 Gd8 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0202","0.0184","","","0.0394","0.0403","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221805","12.8735","0.0006","18.3588","0.0009","12.9082","0.0006","90","","94.119","0.004","90","","3042.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-dysprosium(iii)","","- C6 H10 Dy F18 N3 O17 S6 -","- C6 H10 Dy F18 N3 O17 S6 -","- C24 H40 Dy4 F72 N12 O68 S24 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0267","0.0222","","","0.0485","0.051","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221806","18.51715","0.00013","18.51715","0.00013","18.51715","0.00013","90","","90","","90","","6349.25","0.08","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-cerium(iii)","","- C6 H6 Ce F18 N3 O15 S6 -","- C6 H6 Ce F18 N3 O15 S6 -","- C48 H48 Ce8 F144 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0361","0.0319","","","0.068","0.0705","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221807","12.9085","0.0003","18.369","0.0004","12.9307","0.0003","90","","94.275","0.002","90","","3057.55","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-terbium(iii)","","- C6 H10 F18 N3 O17 S6 Tb -","- C6 H10 F18 N3 O17 S6 Tb -","- C24 H40 F72 N12 O68 S24 Tb4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0246","0.02","","","0.0436","0.0454","","","","","","1.017","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221808","12.8788","0.0004","18.2797","0.0007","12.8814","0.0005","90","","94.524","0.003","90","","3023.1","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-erbium(iii)","","- C6 H10 Er F18 N3 O17 S6 -","- C6 H10 Er F18 N3 O17 S6 -","- C24 H40 Er4 F72 N12 O68 S24 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0209","0.0173","","","0.0397","0.0411","","","","","","1.024","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221809","12.437","0.0006","14.0606","0.0007","32.3952","0.0016","90","","90","","90","","5665","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H78 N0 Ni3 O22 -","- C50 H71 Ni3 O22 -","- C200 H284 Ni12 O88 -","4","1","","Lun, Hui-Jie; Cui, Sa-Sa; Li, Hai-Jiao; Ping, Qi; Song, Hao-Han; Li, Ya-Min; Ru, Yu; Bai, Yan-Long; Xiang, Sheng-Chang","A chiral coordination polymer with double coaxially nested helical chains exhibiting spin-canting antiferromagnetism","CrystEngComm","2015","17","37","7029","","10.1039/C5CE01378J","","","0.71073","MoKα","","0.0742","0.0618","","","0.1562","0.1622","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221817","7.4378","0.0004","8.9941","0.0004","9.8914","0.0005","75.2719","0.0017","72.7974","0.0017","82.7345","0.0017","610.39","0.05","120","","120","","","","","","","","","5","P -1","-P 1","2","","diaquadi(N-4-pyridylnicotinamide)zinc(II)nitrate","","- C22 H22 N8 O10 Zn -","- C22 H22 N8 O10 Zn -","- C22 H22 N8 O10 Zn -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.0463","0.0343","","","0.0736","0.0777","","","","","","1.04","","","","has coordinates,has disorder","301865","2025-08-22","16:16:44",""
"7221818","8.0578","0.0006","8.3568","0.0006","10.1944","0.0006","79.288","0.005","69.725","0.006","82.953","0.006","631.44","0.08","120","","120","","","","","","","","","5","P -1","-P 1","2","","di(N-4-pyridylnicotinamide)copper(II)acetate","","- C26 H24 Cu N6 O6 -","- C26 H24 Cu N6 O6 -","- C26 H24 Cu N6 O6 -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","","0.71073","MoKα","","0.0403","0.0348","","","0.0768","0.081","","","","","","1.08","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221819","7.3668","0.0005","9.1365","0.0006","9.9565","0.0006","76.1428","0.0018","73.5323","0.0018","83.61","0.002","623.27","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","diaquadi(N-4-pyridylnicotinamide)cadmium(II)nitrate","","- C22 H22 Cd N8 O10 -","- C22 H22 Cd N8 O10 -","- C22 H22 Cd N8 O10 -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.0595","0.0592","","","0.1492","0.1497","","","","","","1.072","","","","has coordinates,has disorder","301865","2025-08-22","16:16:44",""
"7221820","16.3055","0.0003","22.8004","0.0004","15.2496","0.0003","90","","97.353","0.002","90","","5622.75","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aquadi(N-4-pyridylnicotinamide)cadmium(II)acetate dihydrate","","- C26 H30 Cd N6 O9 -","- C26 H30 Cd N6 O9 -","- C208 H240 Cd8 N48 O72 -","8","2","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.057","0.0329","","","0.0608","0.0675","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221826","16.9149","0.0012","9.1324","0.0009","18.185","0.002","90","","92.98","0.01","90","","2805.3","0.5","300","","300","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cu Mn N2 O10 S4 -","- C36 H54 Cu2 Mn2 N4 O20 S8 -","- C72 H108 Cu4 Mn4 N8 O40 S16 -","2","0.5","","Kalisz, Marguerite; Cassaro, Rafael A. A.; Novak, Miguel A.; Andruh, Marius; Amorim, Helio S.; Vaz, Maria G. F.","A two-dimensional CuII‒MnIIheterometallic coordination polymer: structure determination using synchrotron X-ray powder diffraction and magnetic properties","CrystEngComm","2015","17","38","7423","","10.1039/C5CE01537E","powder diffraction","","","Synchrotron","","","","","","","","","6.6713","","","","","","","","has coordinates","171010","2020-10-21","18:00:00",""
"7221827","20.765","0.002","9.4741","0.0005","14.1307","0.0013","90","","101.612","0.008","90","","2723","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cyt:phen","Cytosine:1,-10-phenanthroline","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.1033","0.0644","","","0.1524","0.1684","","","","","","0.865","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221839","9.446","0.006","17.339","0.011","37.04","0.02","90","","90","","90","","6067","6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide THF solvate 11.I3.0.5THF","","- C28 H26 I3 N2 O0.5 S4 -","- C28 H26 I3 N2 O0.5 S4 -","- C224 H208 I24 N16 O4 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.6893","synchrotron","","0.1169","0.0763","","","0.1612","0.1774","","","","","","1.109","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221840","9.4562","0.0016","9.5572","0.0014","53.944","0.009","89.206","0.005","87.608","0.003","60.661","0.005","4246","1.2","120","2","120","2","","","","","","","","5","P 1","P 1","1","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide 11.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C156 H132 I18 N12 S24 -","6","6","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.1848","0.0846","","","0.1534","0.1872","","","","","","1.044","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221841","25.5744","0.0005","8.9609","0.0002","19.6079","0.0005","90","","123.59","0.001","90","","3743.2","0.15","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalene triiodide THF solvate 12.I3.THF","","- C38 H34 I3 N2 O S4 -","- C38 H34 I3 N2 O S4 -","- C152 H136 I12 N8 O4 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0401","0.0359","","","0.0777","0.0806","","","","","","1.051","","","","has coordinates,has disorder","287888","2023-11-30","13:37:26",""
"7221842","26.3842","0.0014","9.0879","0.0002","19.4801","0.0009","90","","123.371","0.007","90","","3900.8","0.4","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide chlorobenzene solvate 12.I3.PhCl","","- C40 H31 Cl I3 N2 S4 -","- C40 H31 Cl I3 N2 S4 -","- C160 H124 Cl4 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0325","0.028","","","0.0662","0.0675","","","","","","1.055","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221843","25.601","0.002","8.9169","0.0005","19.5945","0.0012","90","","123.382","0.006","90","","3735.1","0.5","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide dichloromethane solvate 12.I3.DCM","","- C35 H28 Cl2 I3 N2 S4 -","- C35 H28 Cl2 I3 N2 S4 -","- C140 H112 Cl8 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0547","0.0495","","","0.1305","0.1335","","","","","","1.063","","","","has coordinates,has disorder","171014","2020-10-21","18:00:00",""
"7221844","9.484","0.01","19.551","0.014","30.639","0.003","90","","90","","90","","5681","7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenylethyl)-2,5-dihydropyrrolo)tetrathiafulvalene triiodide 13.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C208 H176 I24 N16 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.2909","0.1588","","","0.2564","0.3222","","","","","","1.059","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221845","5.8941","0.0005","7.5206","0.0008","15.7272","0.001","103.039","0.008","96.056","0.006","94.487","0.007","671.62","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cl2 Cu N4 -","- C32 H28 Cl2 Cu N4 -","- C32 H28 Cl2 Cu N4 -","1","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0569","0.0341","","","0.0691","0.0709","","","","","","0.987","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221846","6.051","0.0003","7.5054","0.0004","15.6246","0.0014","102.512","0.006","96.5","0.006","94.693","0.005","684.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Br2 Cu N4 -","- C32 H28 Br2 Cu N4 -","- C32 H28 Br2 Cu N4 -","1","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0754","0.0485","","","0.1011","0.104","","","","","","0.993","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221847","11.183","0.0003","29.7328","0.0007","17.7124","0.0005","90","","98.941","0.003","90","","5817.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64.6 H58.4 Cu N10 O6.6 -","- C64.6 H57.8 Cu N10 O6.6 -","- C258.4 H231.2 Cu4 N40 O26.4 -","4","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0853","0.0667","","","0.1961","0.2058","","","","","","1.035","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221848","11.534","0.001","15.8814","0.0008","16.7622","0.0014","71.888","0.006","87.185","0.007","87.131","0.006","2912.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 Cl2 Cu N8 O9 -","- C64 H56 Cl2 Cu N8 O9 -","- C128 H112 Cl4 Cu2 N16 O18 -","2","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0981","0.0504","","","0.1012","0.1103","","","","","","0.974","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221849","11.64037","0.00019","15.846","0.0004","17.0057","0.0003","70.7034","0.0019","86.7179","0.0016","88.1588","0.0016","2955.39","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H61 Cl2 Cu N9 O9 -","- C66 H59 Cl2 Cu N9 O9 -","- C132 H118 Cl4 Cu2 N18 O18 -","2","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0496","0.035","","","0.0921","0.0951","","","","","","1.068","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221850","24.1698","0.0003","11.631","0.0002","21.9833","0.0003","90","","90","","90","","6179.92","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H65.2 Cl2 Cu N8 O10.6 -","- C67 H62 Cl2 Cu N8 O10.6 -","- C268 H248 Cl8 Cu4 N32 O42.4 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0488","0.0395","","","0.1036","0.1063","","","","","","0.994","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221851","11.0254","0.0004","22.5624","0.0006","14.028","0.0005","90","","93.327","0.003","90","","3483.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H70 Cl1.5 Cu2 N8.5 O11 -","- C68 H70 Cl1.5 Cu2 N8.5 O11 -","- C136 H140 Cl3 Cu4 N17 O22 -","2","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0737","0.0584","","","0.1772","0.1846","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221852","30.1188","0.0008","34.473","0.0007","12.5536","0.0003","90","","90","","90","","13034.2","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C33 H30.5 Cl2 Cu N4 O1.25 -","- C33 H30 Cl2 Cu N4 O1.25 -","- C528 H480 Cl32 Cu16 N64 O20 -","16","2","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0914","0.0535","","","0.1283","0.1361","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221853","16.2205","0.0007","17.8175","0.0006","26.7171","0.0006","73.031","0.003","84.929","0.003","68.555","0.004","6872.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37.2 Cl2 Cu N6 O0.6 -","- C45 H36 Cl2 Cu N6 O0.6 -","- C270 H216 Cl12 Cu6 N36 O3.6 -","6","3","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0655","0.0475","","","0.1425","0.1483","","","","","","0.952","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221854","24.1824","0.001","12.1343","0.0005","22.6611","0.0008","90","","109.241","0.004","90","","6278.2","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H58 Cl4 Cu N8 O10 -","- C63 H58 Cl4 Cu N8 O10 -","- C252 H232 Cl16 Cu4 N32 O40 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0535","0.0502","","","0.1321","0.1361","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221855","15.4267","0.0006","18.0947","0.0007","21.1309","0.0007","90","","90","","90","","5898.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Cu N7 O6 -","- C32 H27 Cu N7 O6 -","- C256 H216 Cu8 N56 O48 -","8","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0879","0.0464","","","0.0964","0.1039","","","","","","0.968","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221863","9.7805","0.0007","7.2405","0.0005","10.0361","0.0007","90","","108.917","0.002","90","","672.33","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F13 O5 Sr4 V3 -","- F13 O5 Sr4 V3 -","- F26 O10 Sr8 V6 -","2","0.5","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0398","0.0298","","","0.0576","0.0606","","","","","","1.03","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221864","10.1963","0.0007","7.3172","0.0005","13.9271","0.001","90","","99.057","0.002","90","","1026.12","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F18 O8 Pb7 V4 -","- F18 O8 Pb7 V4 -","- F36 O16 Pb14 V8 -","2","0.5","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0368","0.0306","","","0.0678","0.0703","","","","","","1.101","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221865","5.6675","0.0005","7.3492","0.0006","8.3152","0.0007","101.234","0.0012","108.995","0.0013","110.625","0.0012","287.14","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- F5 O2 Pb2 V -","- F5 O2 Pb2 V -","- F10 O4 Pb4 V2 -","2","1","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0322","0.0305","","","0.0765","0.0771","","","","","","1.27","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221866","5.6675","0.0004","15.7931","0.0012","12.9995","0.0009","90","","92.019","0.002","90","","1162.83","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F6 O Pb2 V -","- F6 O Pb2 V -","- F48 O8 Pb16 V8 -","8","1","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0293","0.026","","","0.0564","0.0577","","","","","","1.096","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221871","5.329","0.0014","5.1935","0.0013","14.949","0.004","90","","99.833","0.005","90","","407.65","0.18","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_200K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0638","0.0474","","","0.0897","0.0979","","","","","","0.992","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221872","5.3191","0.0016","5.1827","0.0016","14.894","0.005","90","","99.704","0.005","90","","404.7","0.2","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_150K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0427","0.0388","","","0.0918","0.0945","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221873","5.3122","0.0002","5.177","0.0002","14.8307","0.0006","90","","99.493","0.002","90","","402.28","0.03","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_100K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0446","0.0369","","","0.0906","0.0952","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221874","5.3426","0.0015","5.2051","0.0015","15.021","0.004","90","","100.003","0.006","90","","411.4","0.2","250","2","250","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_250K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0821","0.049","","","0.0855","0.1001","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221875","5.359","0.004","5.224","0.004","15.101","0.013","90","","100.228","0.018","90","","416","0.6","300","2","300","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_300K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.1006","0.0525","","","0.1126","0.1344","","","","","","0.959","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221877","5.2819","0.0005","8.9293","0.0009","9.3525","0.0009","104.658","0.009","99.308","0.008","99.803","0.008","410.69","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","acetazolamide","acetazolamide","","- C4 H6 N4 O3 S2 -","- C4 H6 N4 O3 S2 -","- C8 H12 N8 O6 S4 -","2","1","","Thomas, Sajesh P.; Jayatilaka, Dylan; Guru Row, T. N.","SO chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamide.","Physical chemistry chemical physics : PCCP","2015","17","38","25411","25420","10.1039/c5cp04412j","","x-ray","0.71073","MoKα","","0.015","0.013","","","","0.034","","","","","","0.923","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221895","30.09","0.03","17.23","0.02","8.658","0.007","90","","90","","90","","4489","8","100","2","100","2","","","","","","","synthesis as described","5","C m c e","-C 2ac 2","64","","Poly{dimethylamonnium[(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')(mu-acetato-kO:kO)cadmate(II)]}","","- C18 H19 Cd N3 O6 -","- C18 H14 Cd N3 O6 -","- C144 H112 Cd8 N24 O48 -","8","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1623","0.1524","","","0.3267","0.3321","","","","","","1.106","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221896","31.831","0.006","7.884","0.002","19.449","0.004","90","","107.912","0.007","90","","4644.3","1.8","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","Poly{[(mu4-4,4'-azobenzenedicarboxylate-kO:k2O,O':kO'':k2O'',O''')(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')tetrakis(dimethylsulfoxide)dicadmium(II)]dimethylsulfoxide}","","- C38 H46 Cd2 N4 O13 S5 -","- C38 H40 Cd2 N4 O13 S5 -","- C152 H160 Cd8 N16 O52 S20 -","4","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1353","0.0695","","","0.1281","0.1455","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221897","10.7515","0.0007","10.7424","0.0007","11.0098","0.0008","95.683","0.002","96.94","0.002","96.596","0.002","1245.68","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[tris(mu4-4,4'-azobenzenedicarboxylate-kO:kO,O':kO'':kO'',O''')bis(dimethylformamide)tricadmium(II)]}","","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","1","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.0193","0.0176","","","0.0425","0.0433","","","","","","1.068","","","","has coordinates","171088","2020-10-21","18:00:00",""
"7221898","6.981","0.001","26.778","0.004","13.66","0.002","90","","98.15","0.005","90","","2527.8","0.6","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Poly{[(mu3-4,4'-azobenzenedicarboxylate-kO:kO':kO'')(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)zinc(II)]}","","- C20 H12 N5 O4 Zn -","- C20 H12 N5 O4 Zn -","- C80 H48 N20 O16 Zn4 -","4","1","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1002","0.0612","","","0.1436","0.156","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221899","16.945","0.005","16.958","0.005","17.88","0.005","83.348","0.007","73.542","0.007","65.791","0.007","4494","2","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[tris(mu4-4,4'-azobenzenedicarboxylate-kO:kO':kO'':kO''')bis(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)trizinc(II)]}","","- C60 H36 N14.5 O12 Zn3 -","- C60 H36 N14.5 O12 Zn3 -","- C120 H72 N29 O24 Zn6 -","2","1","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.147","0.0916","","","0.2381","0.2653","","","","","","0.888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221912","15.5127","0.0013","8.2524","0.0005","17.957","0.002","90","","122.004","0.006","90","","1949.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine – a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure–property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0686","0.0402","","","0.0863","0.0951","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221913","15.518","0.0014","8.2664","0.0005","17.978","0.002","90","","121.982","0.007","90","","1956.1","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine – a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure–property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0738","0.0397","","","0.0818","0.0927","","","","","","0.982","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221914","15.5225","0.0014","8.2788","0.0005","17.997","0.002","90","","121.964","0.007","90","","1962.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine – a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure–property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0786","0.0405","","","0.0814","0.0924","","","","","","0.935","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221915","15.5304","0.0015","8.2953","0.0006","18.026","0.002","90","","121.942","0.008","90","","1970.6","0.4","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine – a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure–property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0868","0.0411","","","0.082","0.0956","","","","","","0.921","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221916","15.5367","0.0016","8.3081","0.0006","18.051","0.002","90","","121.906","0.008","90","","1978","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine – a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure–property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0926","0.0427","","","0.0815","0.0947","","","","","","0.888","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221917","15.5427","0.0016","8.3248","0.0006","18.084","0.002","90","","121.851","0.008","90","","1987.6","0.4","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine – a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure–property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.1012","0.0427","","","0.0826","0.0983","","","","","","0.885","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221918","15.5486","0.0017","8.337","0.0007","18.116","0.003","90","","121.807","0.008","90","","1995.7","0.5","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine – a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure–property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.111","0.0431","","","0.0829","0.1008","","","","","","0.863","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221919","15.5533","0.0018","8.3475","0.0007","18.151","0.003","90","","121.742","0.009","90","","2004.1","0.5","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine – a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure–property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.1222","0.0449","","","0.0877","0.1081","","","","","","0.868","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221920","11.482","0.003","6.0114","0.0013","19.382","0.005","90","","90","","90","","1337.8","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Isoxazolone-based single crystals with large second harmonic generation effect","CrystEngComm","2015","17","38","7316","","10.1039/C5CE01006C","","","0.71073","MoKα","","0.0403","0.0375","","","0.0868","0.0891","","","","","","1.002","","","","has coordinates","301865","2025-08-22","16:16:44",""
"7221927","25.766","0.004","25.766","0.004","29.978","0.006","90","","90","","120","","17236","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H26 O9 S4 -","- C40 H24 O9 S4 -","- C720 H432 O162 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.136","0.0834","","","0.2569","0.2932","","","","","","0.989","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7221928","37.589","0.003","37.589","0.003","10.681","0.0016","90","","90","","120","","13070","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 O7 S4 -","- C30 H22 O7 S4 -","- C540 H396 O126 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.105","0.0802","","","0.2212","0.2377","","","","","","1.023","","","","has coordinates,has disorder","301865","2025-08-22","16:16:44",""
"7221929","36.329","0.005","36.329","0.005","11.8166","0.0016","90","","90","","120","","13506","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31.17 H28.17 Cl0.51 O5 S4 -","- C31.1667 H28 Cl0.163333 O5 S4 -","- C561 H504 Cl2.94 O90 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.0827","0.0753","","","0.2209","0.2301","","","","","","1.12","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221930","36.0289","0.0013","36.0289","0.0013","12.2533","0.0013","90","","90","","120","","13774.8","1.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H28 O6 S4 -","- C32 H28 O6 S4 -","- C576 H504 O108 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.1244","0.0492","","","0.0804","0.0972","","","","","","1.01","","","","has coordinates,has disorder","301865","2025-08-22","16:16:44",""
"7221931","37.498","0.005","37.498","0.005","11.9203","0.0015","90","","90","","120","","14516","3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H28 O7 S4 -","- C33 H28.01 O7.01 S4 -","- C594 H504.18 O126.18 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.103","0.0631","","","0.1616","0.2095","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221932","23.994","0.006","23.994","0.006","11.648","0.005","90","","90","","120","","5807","3","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C202 H166 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","1","0.0833333","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.2083","0.1262","","","0.3612","0.4332","","","","","","1.375","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7221949","33.842","0.003","8.1803","0.0009","15.5183","0.0015","90","","111.285","0.011","90","","4003","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C160 H184 N24 O24 S8 -","8","1","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1157","0.0704","","","0.1893","0.2301","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221950","33.698","0.002","8.1286","0.0006","15.4818","0.0009","90","","111.393","0.007","90","","3948.6","0.5","250","1","250","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C160 H184 N24 O24 S8 -","8","1","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.085","0.0556","","","0.1533","0.1709","","","","","","1.108","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221951","8.291","0.005","15.44","0.005","16.932","0.005","67.702","0.005","77.616","0.005","89.556","0.005","1952.3","1.5","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1351","0.0994","","","0.2773","0.3061","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221952","8.1589","0.001","15.3909","0.0013","16.8655","0.0018","67.525","0.009","78.145","0.01","89.508","0.009","1909.5","0.4","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1232","0.0997","","","0.2765","0.2935","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221953","5.982","0.0007","12.7479","0.0015","14.4154","0.0017","90","","95.467","0.003","90","","1094.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Fe2 N O -","- C28 H27 Fe2 N O -","- C56 H54 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0399","0.0375","","","0.0935","0.0949","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221954","15.228","0.0008","14.2504","0.0008","11.8362","0.0006","90","","110.265","0.001","90","","2409.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 B F4 Fe2 N O -","- C28 H28 B F4 Fe2 N O -","- C112 H112 B4 F16 Fe8 N4 O4 -","4","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0424","0.0355","","","0.0926","0.098","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221955","12.7933","0.0006","13.4321","0.0007","15.0676","0.0008","107.118","0.001","91.053","0.001","93.358","0.001","2468.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 B F4 Fe2 N O -","- C28 H28 B F4 Fe2 N O -","- C112 H112 B4 F16 Fe8 N4 O4 -","4","2","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0772","0.062","","","0.1591","0.1694","","","","","","1.021","","","","has coordinates,has disorder","171027","2020-10-21","18:00:00",""
"7221956","6.012","0.003","12.956","0.006","14.4","0.007","90","","94.957","0.008","90","","1117.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 Fe2 N O -","- C29 H29 Fe2 N O -","- C58 H58 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0869","0.0556","","","0.1193","0.1331","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221957","29.902","0.004","7.6059","0.0011","28.606","0.005","90","","110.776","0.003","90","","6082.9","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 B F4 Fe2 N O -","- C34 H32 B F4 Fe2 N O -","- C272 H256 B8 F32 Fe16 N8 O8 -","8","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0923","0.0663","","","0.162","0.1765","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221958","9.6738","0.0002","22.7931","0.0005","30.9469","0.0006","90","","90","","90","","6823.7","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C66 H80 O32 -","- C66 H80 O32 -","- C264 H320 O128 -","4","1","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0629","0.0479","","","0.1138","0.1241","","","","","","1.026","","","","has coordinates,has disorder","171029","2020-10-21","18:00:00",""
"7221959","9.8352","0.0006","22.9018","0.0013","31.1702","0.0016","90","","90","","90","","7020.9","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C34.5 H43 O15.5 -","- C34.5 H43 O15.5 -","- C276 H344 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1096","0.0596","","","0.1369","0.1596","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221960","9.7888","0.0002","22.9845","0.0006","31.9792","0.0006","90","","90","","90","","7195","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 O17 -","- C37 H46 O17 -","- C296 H368 O136 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.0987","0.0595","","","0.138","0.165","","","","","","1.009","","","","has coordinates,has disorder","182989","2020-10-21","18:00:00",""
"7221961","9.822","0.0008","22.9864","0.0017","31.274","0.003","90","","90","","90","","7060.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35 H46 O16 -","- C35 H46 O16 -","- C280 H368 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1603","0.0676","","","0.1352","0.1743","","","","","","0.985","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221962","9.74","0.0003","22.9011","0.0007","31.3079","0.0009","90","","90","","90","","6983.4","0.4","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 O16 -","- C36 H48 O16 -","- C288 H384 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0631","0.051","","","0.1376","0.1462","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221963","9.849","0.0004","23.0547","0.001","31.6595","0.0015","90","","90","","90","","7188.8","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C36 H48 O16 -","- C36 H47.5 O16 -","- C288 H380 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1178","0.0674","","","0.1597","0.1853","","","","","","1.082","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221964","9.8572","0.0002","23.1109","0.0004","31.842","0.0005","90","","90","","90","","7253.9","0.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C37 H50 O16 -","- C37 H50 O16 -","- C296 H400 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0796","0.0637","","","0.163","0.175","","","","","","1.047","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221965","9.7994","0.0007","23.0446","0.0016","31.541","0.002","90","","90","","90","","7122.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H47 O15.5 -","- C35.5 H44.5 O15.5 -","- C284 H356 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1952","0.0926","","","0.1747","0.2247","","","","","","1.046","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221966","9.8881","0.0013","22.984","0.003","31.311","0.004","90","","90","","90","","7116","1.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H46 O15.5 -","- C35.5 H45 O15.5 -","- C284 H360 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1265","0.066","","","0.1572","0.191","","","","","","0.993","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221973","7.6584","0.0007","10.2121","0.0008","13.1295","0.0011","108.228","0.006","97.789","0.007","92.502","0.007","962.26","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N2 O S -","- C21 H28 N2 O S -","- C42 H56 N4 O2 S2 -","2","1","","Saeed, Aamer; Bolte, Michael; Erben, Mauricio F.; Pérez, Hiram","Intermolecular interactions in crystalline 1-(adamantane-1-carbonyl)-3-substituted thioureas with Hirshfeld surface analysis","CrystEngComm","2015","17","39","7551","","10.1039/C5CE01373A","","","0.71073","MoKα","","0.0434","0.0409","","","0.1064","0.1084","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221974","12.5435","0.0003","9.656","0.0002","16.5414","0.0004","90","","90","","90","","2003.49","0.08","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0551","0.0326","","","0.0784","0.0882","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221975","8.459","0.0001","8.459","0.0001","27.3117","0.0005","90","","90","","90","","1954.28","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0456","0.0317","","","0.0555","0.0585","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221976","9.6919","0.0001","16.6752","0.0002","12.9961","0.0002","90","","90","","90","","2100.36","0.05","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0534","0.0321","","","0.0768","0.0858","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221977","8.5784","0.0001","8.5784","0.0001","27.9769","0.0005","90","","90","","90","","2058.79","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0527","0.0291","","","0.0461","0.0512","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221983","18.816","0.004","18.816","0.004","21.441","0.005","90","","90","","120","","6574","3","104","","104","","","","","","","","","6","R 3","R 3","146","","","","- C57 H60 N6 O55 S3 Zn9 -","- C57 H60 N6 O55 S3 Zn9 -","- C171 H180 N18 O165 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0394","0.0383","","","0.1085","0.109","","","","","","1.071","","","","has coordinates,has disorder","173745","2020-10-21","18:00:00",""
"7221984","18.798","0.019","18.798","","21.57","0.02","90","","90","","120","","6601","9","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O51.2 S3 Zn9 -","- C57 H54 N6 O52.21 S3 Zn9 -","- C171 H162 N18 O156.63 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0608","0.0519","","","0.1465","0.1524","","","","","","1.081","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221985","18.795","0.018","18.795","","21.47","0.02","90","","90","","120","","6568","9","323","","323","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O48.96 S3 Zn9 -","- C57 H54 N6 O48.96 S3 Zn9 -","- C171 H162 N18 O146.88 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0539","0.0482","","","0.1347","0.1372","","","","","","1.066","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221986","18.889","0.019","18.889","0.019","21.67","0.02","90","","90","","120","","6696","11","373","","373","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0635","0.0508","","","0.1377","0.1473","","","","","","1.024","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221987","18.723","0.005","18.723","0.005","21.353","0.006","90","","90","","120","","6482","3","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.088","0.0556","","","0.1379","0.159","","","","","","0.911","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221988","18.815","0.005","18.815","0.005","21.425","0.006","90","","90","","120","","6568","3","298","2","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O50.95 S3 Zn9 -","- C57 H42 N6 O50.952 S3 Zn9 -","- C171 H126 N18 O152.856 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0738","0.061","","","0.1578","0.1654","","","","","","1.099","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221991","26.0119","0.0001","26.0119","0.0001","26.0119","0.0001","90","","90","","90","","17600.1","0.12","293","2","293","2","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","","","- C162 H98 O58 Zn9 -","- C162 H71.4 O58 Zn9 -","- C648 H285.6 O232 Zn36 -","4","0.166667","","Zhong, Ruiqin; Liu, Jia; Huang, Xing; Yu, Xiaofeng; Sun, Changyu; Chen, Guangjin; Zou, Ruqiang","Experimental and theoretical investigation of a stable zinc-based metal‒organic framework for CO2removal from syngas","CrystEngComm","2015","17","43","8221","","10.1039/C5CE01320H","","","1.54178","CuKα","","0.1165","0.076","","","0.2333","0.2652","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221992","15.103","0.0007","3.913","0.0003","23.4694","0.0012","90","","101.363","0.009","90","","1359.81","0.15","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(3-phenylprop-2-en-1-ylidene)hydrazinylidene]-1,2-dihydrophthalazine","","- C17 H14 N4 -","- C17 H14 N4 -","- C68 H56 N16 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0339","0.0333","","","0.091","0.092","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221993","15.7972","0.0007","9.2961","0.0004","21.2681","0.001","90","","106.516","0.002","90","","2994.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride hemihydrate","","- C30 H26 Cl2 N10 O5 -","- C30 H26 Cl2 N10 O5 -","- C120 H104 Cl8 N40 O20 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0459","0.0452","","","0.1265","0.1271","","","","","","1.058","","","","has coordinates,has disorder","301865","2025-08-22","16:16:45",""
"7221994","7.6745","0.0005","12.8403","0.0011","12.6474","0.0011","90","","91.174","0.006","90","","1246.05","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C60 H36 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0309","0.0304","","","0.0803","0.0808","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221995","7.9151","0.0008","14.3022","0.0011","12.8292","0.0009","90","","105.157","0.009","90","","1401.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride","","- C15 H12 Cl N5 O2 -","- C15 H12 Cl N5 O2 -","- C60 H48 Cl4 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0255","0.0254","","","0.0715","0.0716","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221996","14.1361","0.0009","3.7858","0.0003","24.2876","0.0015","90","","94.009","0.006","90","","1296.61","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C60 H44 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0363","0.0328","","","0.0891","0.0929","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221997","7.6948","0.0008","7.7883","0.0008","23.7516","0.0019","85.64","0.004","84.706","0.005","61.897","0.004","1249.4","0.2","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","3-(3-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C60 H36 N20 O8 -","4","2","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0932","0.0689","","","0.1906","0.2052","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7221998","6.8464","0.0007","13.9346","0.0011","16.3696","0.0014","90","","95.459","0.007","90","","1554.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C31 H28 Cl2 N10 O5 -","- C31 H28 Cl2 N10 O5 -","- C62 H56 Cl4 N20 O10 -","2","0.5","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0278","0.0278","","","0.0748","0.0748","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221999","14.9193","0.0004","3.8014","0.0001","23.8964","0.0007","90","","107.195","0.001","90","","1294.69","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C60 H44 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0351","0.033","","","0.0957","0.0979","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222000","7.0341","0.0009","7.376","0.0009","12.4146","0.0011","79.762","0.006","79.663","0.009","78.553","0.009","614.27","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-(4-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C30 H18 N10 O4 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0381","0.0357","","","0.0978","0.1017","","","","","","1.074","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222001","7.7747","0.0005","9.9551","0.0006","12.0764","0.0009","99.836","0.004","102.862","0.004","91.51","0.005","895.82","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-[3-(4-nitrophenyl)prop-2-en-1-ylidene]-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C18 H18 Cl N5 O3 -","- C18 H18 Cl N5 O3 -","- C36 H36 Cl2 N10 O6 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0283","0.0283","","","0.079","0.079","","","","","","1.058","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222002","6.9683","0.0012","7.625","0.0017","14.408","0.003","75.576","0.014","87.07","0.02","68.757","0.017","690.4","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-[2-(4-nitrophenyl)ethenyl][1,2,4]triazolo[3,4-a]phthalazine","","- C17 H11 N5 O2 -","- C17 H11 N5 O2 -","- C34 H22 N10 O4 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0362","0.0348","","","0.0959","0.0991","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222003","12.3783","0.0008","13.7779","0.0009","19.8004","0.0012","90","","90","","90","","3376.9","0.4","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(3-phenylprop-2-en-1-ylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C18 H19 Cl N4 O -","- C18 H19 Cl N4 O -","- C144 H152 Cl8 N32 O8 -","8","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0307","0.0307","","","0.0819","0.082","","","","","","1.075","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222004","12.7373","0.0009","4.8963","0.0005","22.33","0.0016","90","","95.249","0.009","90","","1386.8","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(3-phenylprop-2-en-1-ylidene)hydrazinylidene]-1,2-dihydrophthalazine","","- C17 H14 N4 -","- C17 H14 N4 -","- C68 H56 N16 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0329","0.0315","","","0.086","0.0874","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222005","10.636","0.0003","4.7798","0.0001","23.0987","0.0009","90","","96.131","0.002","90","","1167.57","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-bipyridyl","","","- C30 H20 N2 O6 -","- C30 H20 N2 O6 -","- C60 H40 N4 O12 -","2","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0634","0.039","","","0.092","0.096","","","","","","0.905","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222006","3.8157","0.0001","28.0772","0.0007","11.2326","0.0003","90","","96.542","0.002","90","","1195.56","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-ethylenebipyridine","","","- C32 H22 N2 O6 -","- C32 H22 N2 O6 -","- C64 H44 N4 O12 -","2","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.1185","0.0578","","","0.1227","0.1408","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222007","22.5402","0.0009","50.511","0.002","4.6451","0.0002","90","","90","","90","","5288.6","0.4","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","lawsone-trimethylenebipyridine","","","- C33 H26 N2 O6 -","- C33 H26 N2 O6 -","- C264 H208 N16 O48 -","8","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0293","0.0261","","","0.063","0.0652","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222008","13.6937","0.0012","5.1534","0.0003","17.5288","0.0012","90","","92.329","0.007","90","","1235.97","0.16","299.3","0.6","299.3","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-hydroxypyridine","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0748","0.0445","","","0.1047","0.1242","","","","","","1.014","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222020","8.494","0.0009","31.934","0.004","10.1921","0.0011","90","","106.524","0.002","90","","2650.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O8 S Zn -","- C26 H18 N4 O8 S Zn -","- C104 H72 N16 O32 S4 Zn4 -","4","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0666","0.0476","","","0.1281","0.1409","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222021","9.8185","0.0007","11.7979","0.0008","12.0667","0.0008","92.113","0.001","96.599","0.001","103.681","0.001","1346.15","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 N8 O14 S2 Zn2 -","- C52 H52 N8 O14 S2 Zn2 -","- C52 H52 N8 O14 S2 Zn2 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0482","0.0379","","","0.1084","0.1243","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222022","9.796","0.002","12.414","0.003","12.664","0.003","87.546","0.004","89.132","0.004","84.732","0.004","1532","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H48 N8 O12 S2 Zn2 -","- C68 H46 N8 O12 S2 Zn2 -","- C68 H46 N8 O12 S2 Zn2 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0724","0.0432","","","0.1095","0.1372","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222023","24.0679","0.0011","17.2213","0.0007","14.2795","0.0006","90","","90.854","0.001","90","","5917.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 N4 O8 S Zn -","- C32 H22 N4 O8 S Zn -","- C256 H176 N32 O64 S8 Zn8 -","8","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0719","0.0418","","","0.1129","0.1414","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222024","14.2687","0.0007","15.7567","0.0007","16.2206","0.0007","67.915","0.001","79.632","0.001","73.899","0.001","3234.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 N8 O21 S4 Zn2 -","- C64 H48 N8 O21 S4 Zn2 -","- C128 H96 N16 O42 S8 Zn4 -","2","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0651","0.0434","","","0.1198","0.1359","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222025","22.7246","0.0008","18.9485","0.0007","13.5373","0.0005","90","","93.8","0.001","90","","5816.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Cd2 N8 O15 S2 -","- C64 H44 Cd2 N8 O15 S2 -","- C256 H176 Cd8 N32 O60 S8 -","4","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.054","0.0392","","","0.1183","0.141","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222026","20.327","0.009","10.439","0.005","28.387","0.012","90","","103.948","0.008","90","","5846","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Cd2 N8 O16 S2 -","- C60 H40 Cd2 N8 O16 S2 -","- C240 H160 Cd8 N32 O64 S8 -","4","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0814","0.0441","","","0.1138","0.1396","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222027","10.8259","0.0006","19.6449","0.001","16.287","0.0009","90","","90.987","0.001","90","","3463.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cd N5 O8 S -","- C33 H27 Cd N5 O8 S -","- C132 H108 Cd4 N20 O32 S4 -","4","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0628","0.04","","","0.1065","0.122","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222028","6.0695","0.0004","8.3911","0.0007","26.115","0.006","89.456","0.012","84.079","0.012","76.113","0.006","1284.1","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.1794","0.0858","","","0.1863","0.237","","","","","","1.02","","","","has coordinates","171090","2020-10-21","18:00:00",""
"7222029","6.0634","0.0005","8.424","0.0008","26.071","0.006","89.426","0.014","83.996","0.013","76.122","0.008","1285.5","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.803 N O3 -","- C60 H73.606 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2094","0.0987","","","0.2188","0.2827","","","","","","1.05","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222030","6.0554","0.0004","8.459","0.0004","25.964","0.006","89.446","0.009","83.899","0.011","76.113","0.005","1283.6","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.711 N O3 -","- C60 H73.422 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2241","0.1087","","","0.2639","0.3392","","","","","","1.048","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222031","6.0463","0.0007","8.5062","0.0007","25.806","0.007","89.348","0.014","83.848","0.017","76.058","0.009","1280.6","0.4","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.62 N O3 -","- C60 H73.24 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2813","0.1244","","","0.2994","0.3968","","","","","","1.127","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222032","6.035","0.0015","8.5245","0.0015","25.662","0.009","89.33","0.03","84.02","0.04","76.051","0.018","1274.2","0.6","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.59 N O3 -","- C60 H73.18 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2888","0.1362","","","0.3416","0.426","","","","","","1.214","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222033","5.8708","0.001","8.2465","0.0009","25.906","0.009","90.242","0.018","83.83","0.03","75.925","0.012","1208.9","0.5","299","2","299","2","900000","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2353","0.1118","","","0.2701","0.3629","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222034","5.8654","0.0012","8.2731","0.001","25.827","0.009","90.2","0.019","83.68","0.03","75.915","0.015","1207.6","0.5","299","2","299","2","","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.83 N O3 -","- C60 H73.66 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2835","0.1415","","","0.324","0.4244","","","","","","1.234","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222035","5.8605","0.0014","8.2848","0.001","25.791","0.009","90.17","0.02","83.63","0.04","75.954","0.016","1206.7","0.5","299","2","299","2","900000","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.78 N O3 -","- C60 H73.56 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.299","0.1408","","","0.3361","0.4385","","","","","","1.223","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222036","8.924","0.003","10.108","0.003","14.354","0.005","91.53","0.03","103.39","0.03","100.48","0.03","1235.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Cl2 Co N6 O2 -","- C26 H23 Cl2 Co N6 O2 -","- C52 H46 Cl4 Co2 N12 O4 -","2","1","","Kamyabi, Mohammad Ali; Soleymani-Bonoti, Fatemeh; Bikas, Rahman; Hosseini-Monfared, Hassan; Arshadi, Nematollah; Siczek, Milosz; Lis, Tadeusz","Molecular oxygen reduction catalyzed by a highly oxidative resistant complex of cobalt-hydrazone at the liquid/liquid interface.","Physical chemistry chemical physics : PCCP","2015","17","48","32161","32172","10.1039/c5cp04695e","","","0.71073","MoKα","","0.0876","0.0501","","","0.1062","0.1141","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222053","11.0915","0.0002","13.6907","0.0004","15.0334","0.0004","90","","91.931","0.002","90","","2281.53","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","4","","Wang, Yu-Ling; Chen, Lin; Liu, Qing-Yan; Du, Zi-Yi; Yao, Yang","Coexistence of a pair of enantiomorphic forms of chiral quartz nets with an interpenetrating mode in a centrosymmetric coordination polymer","CrystEngComm","2015","17","40","7628","","10.1039/C5CE01400J","","","0.71073","MoKα","","0.0914","0.0469","","","0.1027","0.1276","","","","","","1.009","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222054","36.07","0.002","21.17","0.0012","17.8547","0.0011","90","","91.22","0.004","90","","13630.8","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H54 N12 O12 Zn3 -","- C84 H54 N12 O12 Zn3 -","- C336 H216 N48 O48 Zn12 -","4","0.5","","Wang, Yu-Ling; Chen, Lin; Liu, Qing-Yan; Du, Zi-Yi; Yao, Yang","Coexistence of a pair of enantiomorphic forms of chiral quartz nets with an interpenetrating mode in a centrosymmetric coordination polymer","CrystEngComm","2015","17","40","7628","","10.1039/C5CE01400J","","","0.71073","MoKα","","0.1215","0.0715","","","0.2087","0.2226","","","","","","1.008","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222059","16.177","0.003","7.5746","0.0013","19.698","0.004","90","","107.485","0.009","90","","2302.2","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C116 H96 N16 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0675","0.0609","","","0.1743","0.1852","","","","","","1.205","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222060","16.337","0.013","7.599","0.006","19.883","0.015","90","","107.782","0.009","90","","2350","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N3 O2 -","- C30 H25 N3 O2 -","- C120 H100 N12 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1763","0.0974","","","0.2147","0.2727","","","","","","1.143","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222061","9.117","0.006","11.604","0.008","18.108","0.012","90","","92.885","0.008","90","","1913","2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O2 -","- C7 H8 O2 -","- C84 H96 O24 -","12","3","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0573","0.0524","","","0.1547","0.1589","","","","","","1.139","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222062","7.6951","0.001","20.299","0.002","9.089","0.001","90","","92.677","0.006","90","","1418.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0607","0.0522","","","0.1512","0.1697","","","","","","1.114","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222063","11.3265","0.001","12.443","0.0011","21.1449","0.0019","90","","90","","90","","2980.1","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0584","0.0514","","","0.1184","0.123","","","","","","1.16","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222064","7.9","0.004","22.159","0.011","8.964","0.005","90","","106.54","0.005","90","","1504.3","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0553","0.0484","","","0.1366","0.1492","","","","","","1.1","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222065","7.842","0.002","21.894","0.004","9.26","0.003","90","","106.278","0.012","90","","1526.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0736","0.0632","","","0.1757","0.1915","","","","","","1.14","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222066","7.986","0.005","16.748","0.01","8.276","0.005","90","","90.474","0.008","90","","1106.9","1.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0541","0.0488","","","0.1445","0.1559","","","","","","1.125","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222067","7.718","0.005","18.754","0.011","9.201","0.006","90","","96.278","0.008","90","","1323.8","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.06","0.054","","","0.1501","0.156","","","","","","1.086","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222068","20.478","0.004","7.1225","0.0013","12.93","0.003","90","","94.578","0.009","90","","1879.9","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0734","0.0652","","","0.1793","0.1948","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222069","7.821","0.003","22.849","0.008","8.387","0.003","90","","91.286","0.015","90","","1498.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0623","0.0546","","","0.1524","0.1691","","","","","","1.096","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222070","9.0198","0.0015","10.7769","0.0018","14.653","0.002","90","","90","","90","","1424.4","0.4","150","2","150","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0889","0.056","","","0.1133","0.1282","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222071","17.8576","0.0019","9.9354","0.001","18.732","0.002","90","","105.457","0.004","90","","3203.3","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.12","0.0796","","","0.2029","0.2461","","","","","","1.116","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222072","8.139","0.002","12.331","0.004","16.793","0.005","90","","98.031","0.013","90","","1668.9","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0799","0.0662","","","0.1964","0.2119","","","","","","1.088","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222073","18.468","0.003","7.2386","0.0011","11.831","0.002","90","","91.866","0.01","90","","1580.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0779","0.0663","","","0.1852","0.2005","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222074","7.656","0.007","22.46","0.02","8.94","0.008","90","","91.516","0.014","90","","1537","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0926","0.0721","","","0.1997","0.224","","","","","","1.149","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222075","7.742","0.004","22.159","0.011","9.1","0.005","90","","93.63","0.005","90","","1558","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0613","0.0503","","","0.1427","0.1623","","","","","","1.165","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222076","9.097","0.017","12.117","0.019","12.53","0.02","73.19","0.05","81.98","0.05","75.42","0.05","1276","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C66 H52 N4 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.2668","0.1231","","","0.2833","0.3809","","","","","","1.002","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222077","7.734","0.005","9.196","0.006","20.844","0.014","101.37","0.015","94.21","0.03","96.022","0.017","1438.6","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N4 O4 -","- C33 H34 N4 O4 -","- C66 H68 N8 O8 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1262","0.0729","","","0.1821","0.2307","","","","","","1.074","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222078","7.7071","0.0019","8.9632","0.0019","12.79","0.002","78.86","0.04","79.56","0.04","83.81","0.04","850.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 N6 O4 -","- C36 H48 N6 O4 -","- C36 H48 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0831","0.0632","","","0.1703","0.2029","","","","","","0.981","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222079","7.287","0.006","9.179","0.007","14.419","0.011","105.567","0.019","90.12","0.03","93.375","0.019","927.3","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N2 O2 -","- C22 H23 N2 O2 -","- C44 H46 N4 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1177","0.0755","","","0.1922","0.2921","","","","","","0.949","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222080","7.635","0.005","9.055","0.008","17.237","0.013","96.22","0.03","94.09","0.02","113.734","0.015","1075.8","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O2 -","- C24 H28 N4 O2 -","- C48 H56 N8 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0675","0.0586","","","0.1696","0.1865","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222081","19.0009","0.0019","5.2814","0.0009","25.611","0.005","90","","90","","90","","2570.1","0.7","110","1","110","1","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0699","0.0414","","","0.0822","0.0879","","","","","","0.846","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222082","19.139","0.003","5.314","0.0013","26","0.005","90","","90","","90","","2644.3","0.9","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1265","0.0996","","","0.2809","0.2945","","","","","","1.047","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222083","4.8773","0.0005","13.7541","0.0014","20.395","0.0018","90","","90","","90","","1368.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1348","0.0382","","","0.071","0.083","","","","","","0.681","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222084","7.4681","0.0003","13.1048","0.0005","13.9995","0.0005","90","","90","","90","","1370.1","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0921","0.0705","","","0.2196","0.2302","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222085","12.8529","0.0005","13.5669","0.0004","14.6676","0.0005","90","","107.713","0.001","90","","2436.4","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels–Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0349","0.0263","","","0.0667","0.0715","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222086","12.8561","0.0004","13.618","0.0004","14.6351","0.0005","90","","107.906","0.001","90","","2438.12","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19.09 Br N2 O4 S2 -","- C28 H19.094 Br N2 O4 S2 -","- C112 H76.376 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0526","0.0333","","","0.0756","0.0836","","","","","","1.02","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222087","12.865","0.0006","13.6783","0.0006","14.6129","0.0007","90","","108.152","0.002","90","","2443.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels–Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0554","0.0364","","","0.0906","0.1018","","","","","","1.042","","","","has coordinates,has disorder","301865","2025-08-22","16:16:45",""
"7222088","12.8617","0.0008","13.7077","0.0008","14.5846","0.0009","90","","108.297","0.002","90","","2441.3","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1057","0.0696","","","0.1632","0.188","","","","","","1.062","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222089","12.8605","0.0014","13.7943","0.0015","14.5372","0.0016","90","","108.642","0.004","90","","2443.6","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1724","0.1032","","","0.2494","0.2982","","","","","","1.043","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222090","12.905","0.002","14.015","0.002","14.524","0.003","90","","109.18","0.004","90","","2481","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2358","0.1463","","","0.3412","0.4108","","","","","","1.039","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222091","12.8578","0.0011","14.1427","0.0012","14.4105","0.0013","90","","110.053","0.004","90","","2461.6","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2224","0.1038","","","0.2351","0.2969","","","","","","1.045","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222092","12.8049","0.001","14.1886","0.0009","14.4999","0.0011","90","","110.453","0.003","90","","2468.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1656","0.0781","","","0.1613","0.1988","","","","","","1.016","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222093","12.7386","0.0012","14.1989","0.0011","14.6254","0.0012","90","","110.594","0.004","90","","2476.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2066","0.1037","","","0.1538","0.1942","","","","","","1.04","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222094","12.6987","0.001","14.2111","0.0011","14.6928","0.0012","90","","110.648","0.003","90","","2481.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C27.997 H18.995 Br N1.999 O4 S2 -","- C111.988 H75.98 Br4 N7.996 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1621","0.083","","","0.1447","0.1747","","","","","","1.03","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222095","12.668","0.002","14.193","0.003","14.74","0.003","90","","110.608","0.005","90","","2480.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1864","0.0799","","","0.1465","0.1909","","","","","","1.019","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222096","12.683","0.0016","14.2527","0.0017","14.782","0.002","90","","110.713","0.004","90","","2499.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels–Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1588","0.0728","","","0.12","0.1482","","","","","","1.027","","","","has coordinates,has disorder","301865","2025-08-22","16:16:45",""
"7222097","8.2573","0.0009","12.5878","0.0013","14.5411","0.0016","110.12","0.006","90.583","0.007","99.971","0.006","1393.8","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Br Cl2 N2 O4 S2 -","- C29 H22 Br Cl2 N2 O4 S2 -","- C58 H44 Br2 Cl4 N4 O8 S4 -","2","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1864","0.1111","","","0.3219","0.3543","","","","","","1.075","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222098","12.7053","0.0008","23.1346","0.0014","8.5162","0.0005","90","","103.246","0.004","90","","2436.6","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1324","0.0664","","","0.1549","0.1709","","","","","","1.029","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222099","12.6357","0.001","14.2062","0.0011","14.7531","0.0012","90","","110.689","0.004","90","","2477.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels–Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1502","0.0907","","","0.1432","0.1663","","","","","","1.128","","","","has coordinates,has disorder","301865","2025-08-22","16:16:45",""
"7222107","15.9547","0.0008","15.9547","0.0008","15.9547","0.0008","90","","90","","90","","4061.3","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Dy2 O23 P6 -","- C21 H33.9996 Dy2 O23 P6 -","- C84 H135.998 Dy8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0298","0.0243","","","0.0473","0.049","","","","","","1.057","","","","has coordinates,has disorder","171092","2020-10-21","18:00:00",""
"7222108","16.0668","0.0009","16.0668","0.0009","16.0668","0.0009","90","","90","","90","","4147.5","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Eu2 O23 P6 -","- C21 H33.9996 Eu2 O23 P6 -","- C84 H135.998 Eu8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.042","0.0351","","","0.0698","0.0731","","","","","","1.007","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222109","16.0416","0.0009","16.0416","0.0009","16.0416","0.0009","90","","90","","90","","4128","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Gd2 O23 P6 -","- C21 H33.9996 Gd2 O23 P6 -","- C84 H135.998 Gd8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0374","0.0279","","","0.0559","0.0595","","","","","","1.039","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222110","16.0134","0.0011","16.0134","0.0011","16.0134","0.0011","90","","90","","90","","4106.3","0.5","297","2","297","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 O23 P6 Tb2 -","- C21 H33.9996 O23 P6 Tb2 -","- C84 H135.998 O92 P24 Tb8 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0438","0.0348","","","0.0782","0.0868","","","","","","1.103","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222112","23.0884","0.0007","10.4956","0.0004","7.3329","0.0002","90","","90","","90","","1776.96","0.1","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Zhihan; Kastern, Brent; Randazzo, Katelyn; Ugrinov, Angel; Butz, Jonathan; Seals, David W.; Sibi, Mukund P.; Chu, Qianli R.","Linear polyester synthesized from furfural-based monomer by photoreaction in sunlight","Green Chem.","2015","17","10","4720","","10.1039/C5GC01783A","","","1.54178","CuKα","","0.0366","0.0315","","","0.0791","0.0818","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222113","22.9356","0.0009","10.4908","0.0004","7.3765","0.0003","90","","90","","90","","1774.88","0.12","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Zhihan; Kastern, Brent; Randazzo, Katelyn; Ugrinov, Angel; Butz, Jonathan; Seals, David W.; Sibi, Mukund P.; Chu, Qianli R.","Linear polyester synthesized from furfural-based monomer by photoreaction in sunlight","Green Chem.","2015","17","10","4720","","10.1039/C5GC01783A","","","0.71073","MoKα","","0.0718","0.0535","","","0.1151","0.1229","","","","","","1.092","","","","has coordinates,has disorder","161996","2020-10-21","18:00:00",""
"7222120","14.7932","0.0012","14.7382","0.0011","10.6919","0.0008","90","","112.289","0.001","90","","2156.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Ce N O12 -","- C21 H18 Ce N O12 -","- C84 H72 Ce4 N4 O48 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0358","0.0308","","","0.0741","0.078","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222121","9.3219","0.0006","10.5274","0.0006","11.1369","0.0007","64.34","0.001","80.881","0.001","82.009","0.001","969.64","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H12 N Nd O9 -","- C21 H12 N Nd O9 -","- C42 H24 N2 Nd2 O18 -","2","1","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0396","0.0353","","","0.0941","0.0966","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222122","18.316","0.0014","12.2002","0.0009","9.5032","0.0007","90","","114.086","0.001","90","","1938.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Eu N O9 -","- C21 H12 Eu N O9 -","- C84 H48 Eu4 N4 O36 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.032","0.0298","","","0.0854","0.087","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222123","9.4281","0.0006","10.5623","0.0007","11.1893","0.0007","64.0602","0.0009","80.8746","0.0009","82.0709","0.0008","986.36","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N O10.5 Sm -","- C21 H15 N O10.5 Sm -","- C42 H30 N2 O21 Sm2 -","2","1","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0267","0.024","","","0.0589","0.0605","","","","","","1.042","","","","has coordinates,has disorder","171037","2020-10-21","18:00:00",""
"7222124","17.72","0.04","12.11","0.02","9.324","0.019","90","","113.41","0.03","90","","1836","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H7 N O8 Tb -","- C21 H7 N O8 Tb -","- C84 H28 N4 O32 Tb4 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.1249","0.0812","","","0.1582","0.1752","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222125","18.316","0.0014","12.2002","0.0009","9.5032","0.0007","90","","114.086","0.001","90","","1938.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Er N O9 -","- C21 H12 Er N O9 -","- C84 H48 Er4 N4 O36 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0399","0.0374","","","0.1113","0.1135","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222137","14.5012","0.0011","44.132","0.002","50.412","0.002","90","","90","","90","","32262","3","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H10 Eu N O8 -","- C16 H10 Eu N O8 -","- C512 H320 Eu32 N32 O256 -","32","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0642","0.0459","","","0.1039","0.1086","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222138","14.4927","0.0011","44.273","0.002","50.103","0.002","90","","90","","90","","32148","3","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H10 N O8 Tb -","- C16 H10 N O8 Tb -","- C512 H320 N32 O256 Tb32 -","32","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0561","0.0372","","","0.0878","0.0961","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222139","14.331","0.002","23.7137","0.0015","25.4868","0.0014","86.039","0.002","74.929","0.003","74.441","0.002","8057.1","1.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 N4 Nd4 O32 -","- C64 H40 N4 Nd4 O32 -","- C128 H80 N8 Nd8 O64 -","2","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0619","0.045","","","0.1114","0.1165","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222140","11.7046","0.0009","14.5353","0.0011","28.585","0.002","85.514","0.001","78.994","0.001","66.817","0.001","4388.2","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H60 B Co2.5 N24 O46 W12 -","- C48 H54 B Co2.5 N24 O45 W12 -","- C96 H108 B2 Co5 N48 O90 W24 -","2","1","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.0555","0.042","","","0.0962","0.1011","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222141","39.245","0.008","15.242","0.003","23.514","0.005","90","","115.77","0.03","90","","12667","6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Co N15 O43 P W12 -","- C30 H37 Co N15 O43 P W12 -","- C240 H296 Co8 N120 O344 P8 W96 -","8","1","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.074","0.0459","","","0.0898","0.0986","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222142","51.26","0.004","15.4783","0.001","24.3771","0.0016","90","","103.921","0.002","90","","18773","2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120 H128 B2 Cu5 N60 O84 W24 -","- C120 H126 B2 Cu5 N60 O84 W24 -","- C480 H504 B8 Cu20 N240 O336 W96 -","4","0.5","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.1087","0.0866","","","0.1705","0.1822","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222239","12.2101","0.0002","17.3136","0.0003","20.6387","0.0004","90","","92.939","0.002","90","","4357.3","0.13","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H48 Cl2 Fe N10 O8 -","- C41 H48 Cl2 Fe N10 O8 -","- C164 H192 Cl8 Fe4 N40 O32 -","4","2","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0296","0.0282","","","0.0722","0.0727","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:16:45",""
"7222240","15.7576","0.0002","21.7812","0.0002","40.7465","0.0006","90","","90","","90","","13985","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C123 H143 Cl6 Fe3 N29 O24 -","- C123 H143 Cl6 Fe3 N29 O24 -","- C492 H572 Cl24 Fe12 N116 O96 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0481","0.0442","","","0.1198","0.1221","","","","","","1.033","","","","has coordinates,has disorder","301865","2025-08-22","16:16:45",""
"7222241","15.9981","0.0002","21.6984","0.0003","40.7994","0.0008","90","","90","","90","","14162.8","0.4","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C120 H140 Cl6 Fe3 N28 O25 -","- C120 H140 Cl6 Fe3 N28 O25 -","- C480 H560 Cl24 Fe12 N112 O100 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0665","0.0546","","","0.1311","0.1366","","","","","","1.046","","","","has coordinates,has disorder","301865","2025-08-22","16:16:45",""
"7222242","14.91","0.003","35.478","0.007","7.4293","0.0015","90","","99.21","0.03","90","","3879.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 N2 O10 -","- C41 H42 Cl2 N2 O10 -","- C164 H168 Cl8 N8 O40 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? – Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.061","0.043","","","0.0966","0.1068","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222243","6.6251","0.0013","34.49","0.007","8.4698","0.0017","90","","95.75","0.03","90","","1925.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O5 -","- C21 H20 Cl N O5 -","- C84 H80 Cl4 N4 O20 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? – Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0655","0.0424","","","0.0955","0.1065","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222244","5.7206","0.0011","13.677","0.003","9.6377","0.0019","90","","106.78","0.03","90","","722","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Cl N O6 -","- C14 H16 Cl N O6 -","- C28 H32 Cl2 N2 O12 -","2","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0369","0.033","","","0.0783","0.0807","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222245","15.035","0.003","7.2113","0.0014","11.025","0.002","90","","106.86","0.03","90","","1144","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl N O4 -","- C11 H13 Cl N O4 -","- C44 H52 Cl4 N4 O16 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? – Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0508","0.0353","","","0.0886","0.0979","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222246","6.1768","0.0012","7.5101","0.0015","19.092","0.004","79.43","0.03","82.9","0.03","84.25","0.03","861.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N O4 -","- C18 H20 Cl N O4 -","- C36 H40 Cl2 N2 O8 -","2","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? – Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0484","0.0385","","","0.0985","0.1045","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222247","5.49","0.0011","13.4","0.003","28.91","0.006","90","","90.9","0.03","90","","2126.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl N O6 S -","- C20 H28 Cl N O6 S -","- C80 H112 Cl4 N4 O24 S4 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? – Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.1152","0.068","","","0.1291","0.1444","","","","","","1.059","","","","has coordinates,has disorder","301865","2025-08-22","16:16:45",""
"7222248","11.8675","0.0004","15.6072","0.0004","12.2828","0.0004","90","","112.86","0.001","90","","2096.32","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Luditine)","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C116 H88 N4 O4 -","2","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0818","0.0448","","","0.103","0.1192","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222249","11.8056","0.0014","15.6491","0.0019","12.2647","0.0015","90","","111.724","0.002","90","","2104.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C116 H88 N4 O4 -","2","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1381","0.0706","","","0.1391","0.1653","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222250","9.78","0.002","11.388","0.002","11.566","0.002","115.12","0.03","101.58","0.03","104.11","0.03","1061.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(3,4-Lutidine)","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0842","0.0503","","","0.1284","0.1481","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222251","8.87","0.002","10.41","0.003","16.836","0.005","76.16","0.005","88.162","0.006","76.165","0.006","1465.1","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(9-10-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)anthracene).2(2,3-Lutidine)","","","- C74 H76 N2 O2 -","- C74 H76 N2 O2 -","- C74 H76 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1439","0.0606","","","0.1323","0.1683","","","","","","0.966","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222252","8.815","0.0018","10.541","0.002","16.794","0.003","75.3","0.03","88.23","0.03","76.92","0.03","1469.7","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C60 H58 O2, 0.72(C7 H9 N), 1.28(C6 H5 N), 1.28(C H3)","","","- C74 H74.72 N2 O2 -","- C74 H74.72 N2 O2 -","- C74 H74.72 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1522","0.0739","","","0.1854","0.2235","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222253","10.964","0.002","14.24","0.003","20.271","0.004","109.78","0.03","97.99","0.03","95","0.03","2918.5","1.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C141 H125 N3 O4 -","- C141 H125 N3 O4 -","- C141 H125 N3 O4 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1163","0.0702","","","0.1942","0.2256","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222254","7.745","0.0004","10.1392","0.0004","12.8039","0.0006","87.03","0.002","74.328","0.002","74.741","0.002","933.76","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Lutidine)","","","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0683","0.0425","","","0.1027","0.1151","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222255","7.6847","0.0003","10.8142","0.0005","12.3664","0.0005","77.867","0.002","77.131","0.002","70.639","0.002","934.78","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene.2(3,4-Lutidine)","","","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0623","0.0407","","","0.0974","0.1075","","","","","","1.023","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222256","12.817","0.0011","7.3554","0.0006","11.1126","0.0008","90","","98.49","0.003","90","","1036.15","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O8 -","- C22 H22 N2 O8 -","- C44 H44 N4 O16 -","2","0.5","","Silberstein, Katharine E.; Pastore, James P.; Zhou, Weidong; Potash, Rebecca A.; Hernández-Burgos, Kenneth; Lobkovsky, Emil B.; Abruña, Héctor D","Electrochemical lithiation-induced polymorphism of anthraquinone derivatives observed by operando X-ray diffraction.","Physical chemistry chemical physics : PCCP","2015","17","41","27665","27671","10.1039/c5cp04201a","","","0.71073","MoKα","","0.0503","0.037","","","0.0934","0.1022","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:16:45",""
"7222263","18.134","0.002","13.8355","0.0016","9.3325","0.001","90","","90","","90","","2341.5","0.5","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H20 Co F4 N4 O5 -","- C20 H20 Co F4 N4 O5 -","- C80 H80 Co4 F16 N16 O20 -","4","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.068","0.0382","","","0.0714","0.0811","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222264","20.28","0.003","7.5025","0.0012","20.478","0.003","90","","99.022","0.003","90","","3077.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 Cd2 F8 N4 O8 -","- C28 H18 Cd2 F8 N4 O8 -","- C112 H72 Cd8 F32 N16 O32 -","4","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0967","0.0841","","","0.2181","0.2236","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222265","10.102","0.0018","9.3434","0.0017","11.929","0.002","90","","91.259","0.003","90","","1125.7","0.3","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 F4 N4 Ni O4 -","- C20 H18 F4 N4 Ni O4 -","- C40 H36 F8 N8 Ni2 O8 -","2","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0604","0.0541","","","0.156","0.1607","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222266","9.437","0.002","11.304","0.004","11.371","0.003","116.906","0.005","113.912","0.004","92.898","0.006","947.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Co F8 N4 O12 -","- C32 H34 Co F8 N4 O12 -","- C32 H34 Co F8 N4 O12 -","1","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0911","0.076","","","0.1932","0.2182","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222267","9.2303","0.0013","11.4497","0.0015","11.7396","0.0015","119.054","0.002","90.297","0.002","111.767","0.002","980.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cd F8 N4 O12 -","- C32 H34 Cd F8 N4 O12 -","- C32 H34 Cd F8 N4 O12 -","1","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.061","0.0522","","","0.1316","0.1411","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222268","8.908","0.004","12.428","0.005","32.131","0.013","93.525","0.007","95.154","0.007","92.39","0.007","3532","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H66 Cd3 F12 N12 O15 -","- C63 H66 Cd3 F12 N12 O15 -","- C126 H132 Cd6 F24 N24 O30 -","2","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0842","0.0545","","","0.1275","0.1544","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222269","11.045","0.002","16.273","0.003","14.238","0.003","90","","111.342","0.003","90","","2383.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cd F4 N4 O5 -","- C21 H22 Cd F4 N4 O5 -","- C84 H88 Cd4 F16 N16 O20 -","4","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.1287","0.0747","","","0.1684","0.1967","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222270","5.678","0.001","5.6456","0.0007","32.491","0.012","90","","93.09","0.02","90","","1040","0.4","120","2","120","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Kaleta, Jiří; Michl, Josef; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Batail, Patrick","Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit","CrystEngComm","2015","17","41","7829","","10.1039/C5CE01372K","","","0.71073","MoKα","","0.1305","0.0954","","","0.2314","0.2598","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222271","5.7123","0.0019","5.7076","0.0017","33.016","0.018","90","","93.68","0.05","90","","1074.2","0.8","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Kaleta, Jiří; Michl, Josef; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Batail, Patrick","Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit","CrystEngComm","2015","17","41","7829","","10.1039/C5CE01372K","","","0.71073","MoKα","","0.2607","0.0769","","","0.1598","0.2016","","","","","","0.861","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222284","27.0118","0.0002","27.0118","0.0002","25.0254","0.0003","90","","90","","120","","15813.2","0.3","298","2","298","2","","","","","","","Synthesized","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C60 H130 Cu3 N6 O32 -","- C60 H90 Cu3 N6 O32 -","- C360 H540 Cu18 N36 O192 -","6","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","1.54184","CuKα","","0.084","0.0829","","","0.233","0.235","","","","","","1.285","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7222285","21.5599","0.0003","21.5599","0.0003","12.8974","0.0003","90","","90","","90","","5995.09","0.18","293","2","293","2","","","","","","","Synthesized","5","P 4 21 2","P 4ab 2ab","90","","","","- C44 H82 Cu3 N4 O18.25 -","- C44 H66 Cu3 N4 O18.19 -","- C176 H264 Cu12 N16 O72.76 -","4","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","0.71073","MoKα","","0.133","0.0566","","","0.1169","0.1432","","","","","","0.94","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7222296","9.3177","0.0004","9.3177","0.0004","9.3177","0.0004","90","","90","","90","","808.96","0.06","298","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","silver molybdate","disilver dioxido(dioxo)molybdenum","","- Ag2 Mo O4 -","- Ag2 Mo O4 -","- Ag16 Mo8 O32 -","8","0.0416667","","Cunha, F. S.; Sczancoski, J. C.; Nogueira, I. C.; de Oliveira, V. G.; Lustosa, S. M. C.; Longo, E.; Cavalcante, L. S.","Structural, morphological and optical investigation of β-Ag2MoO4 microcrystals obtained with different polar solvents","CrystEngComm","2015","17","43","8207","","10.1039/C5CE01662B","powder diffraction","x-ray","1.5405","CuKα","","0.0854","0.0922","","","0.1273","","0.04395","","1.38","","","1.38","","","","has coordinates","265250","2021-05-15","21:31:22",""
"7222297","24.11298","","16.94684","","19.73992","","90","","90","","90","","8066.5","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C250.33 H239.03 Co24 N125.16 O93.65 -","- C250.304 H319 Co24 N125.152 O13.648 -","- C250.304 H319 Co24 N125.152 O13.648 -","1","0.0625","","Zhang, Jingcheng; Zhang, Tianci; Yu, Dongbo; Xiao, Kesong; Hong, Yu","Transition from ZIF-L-Co to ZIF-67: a new insight into the structural evolution of zeolitic imidazolate frameworks (ZIFs) in aqueous systems","CrystEngComm","2015","17","43","8212","","10.1039/C5CE01531F","","","","","","","","","","","","","","","","","","","","","has coordinates","209362","2020-10-21","18:00:00",""
"7222315","8.2775","0.0008","14.9469","0.0015","20.733","0.002","90","","98.852","0.002","90","","2534.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N4 Nd O9 S -","- C24 H17 N4 Nd O9 S -","- C96 H68 N16 Nd4 O36 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0455","0.0388","","","0.1005","0.1044","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222316","8.2415","0.0008","14.9167","0.0015","20.773","0.002","90","","98.86","0.002","90","","2523.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N4 O9 S Sm -","- C24 H17 N4 O9 S Sm -","- C96 H68 N16 O36 S4 Sm4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0337","0.0267","","","0.0604","0.0636","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222317","8.2038","0.0009","14.8931","0.0017","20.772","0.002","90","","98.813","0.002","90","","2508","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Gd N4 O9 S -","- C24 H17 Gd N4 O9 S -","- C96 H68 Gd4 N16 O36 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.04","0.0283","","","0.0608","0.0654","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222318","30.013","0.003","35.346","0.006","8.669","0.0009","90","","90","","90","","9196","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H17 N4 O7 S Yb -","- C24 H17 N4 O7 S Yb -","- C384 H272 N64 O112 S16 Yb16 -","16","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0254","0.0223","","","0.042","0.0432","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222319","9.07","0.0011","9.0825","0.0011","14.4882","0.0017","95.756","0.002","91.454","0.002","99.401","0.002","1170.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 Pr S -","- C24 H19 N4 O8 Pr S -","- C48 H38 N8 O16 Pr2 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0317","0.0276","","","0.0596","0.0623","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222320","9.0064","0.0009","9.0831","0.001","14.4399","0.0014","95.147","0.002","91.28","0.002","99.076","0.001","1161","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Sm -","- C24 H19 N4 O8 S Sm -","- C48 H38 N8 O16 S2 Sm2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0265","0.0241","","","0.0552","0.057","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222321","8.9637","0.0011","9.0728","0.001","14.4541","0.0017","94.827","0.002","91.126","0.002","98.795","0.002","1156.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Gd N4 O8 S -","- C24 H19 Gd N4 O8 S -","- C48 H38 Gd2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0282","0.0246","","","0.0522","0.0543","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222322","8.9094","0.0014","9.0407","0.0014","14.458","0.002","94.501","0.002","91.024","0.003","98.578","0.003","1147.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Dy N4 O8 S -","- C24 H19 Dy N4 O8 S -","- C48 H38 Dy2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0449","0.0354","","","0.0678","0.0721","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222323","8.895","0.0014","9.0742","0.0014","14.465","0.002","94.25","0.002","91.157","0.003","97.971","0.002","1152.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Ho N4 O8 S -","- C24 H19 Ho N4 O8 S -","- C48 H38 Ho2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0444","0.0361","","","0.0692","0.0725","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222324","8.872","0.007","9.023","0.008","14.475","0.012","94.059","0.016","91.016","0.014","98.053","0.016","1144","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Er N4 O8 S -","- C24 H17 Er N4 O8 S -","- C48 H34 Er2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.18","0.0987","","","0.1945","0.236","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222325","8.8933","0.0019","9.0472","0.0019","14.467","0.003","94.285","0.004","90.906","0.004","98.511","0.004","1147.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Y -","- C24 H19 N4 O8 S Y -","- C48 H38 N8 O16 S2 Y2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0736","0.05","","","0.1063","0.1189","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222326","13.6008","0.0012","13.5013","0.0012","13.133","0.0012","90","","96.231","0.001","90","","2397.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N4 O8 Pr S -","- C24 H19 N4 O8 Pr S -","- C96 H76 N16 O32 Pr4 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0274","0.0216","","","0.0456","0.0475","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222327","17.9503","0.0015","11.2846","0.0006","9.2574","0.0005","90","","119.709","0.007","90","","1628.7","0.2","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H28 N6 O6 Zn -","- C36 H28 N6 O6 Zn -","- C72 H56 N12 O12 Zn2 -","2","0.25","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.087","0.0656","","","0.1461","0.1567","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222328","9.4863","0.0009","9.8132","0.0009","11.1496","0.0011","68.615","0.009","89.254","0.008","63.457","0.01","850.48","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N6 O6 Zn -","- C38 H36 N6 O6 Zn -","- C38 H36 N6 O6 Zn -","1","0.5","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0617","0.0516","","","0.1267","0.1334","","","","","","0.921","","","","has coordinates","171054","2020-10-21","18:00:00",""
"7222329","9.3515","0.0006","26.1628","0.0012","10.141","0.0006","90","","113.673","0.007","90","","2272.3","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N4 O7 Pb -","- C19 H19 N4 O7 Pb -","- C76 H76 N16 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0662","0.0505","","","0.1198","0.1316","","","","","","0.974","","","","has coordinates","301865","2025-08-22","16:16:46",""
"7222330","12.7971","0.0009","11.8723","0.001","20.1498","0.0017","90","","121.569","0.006","90","","2608.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N6 O7 Pb -","- C25 H23 N6 O7 Pb -","- C100 H92 N24 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0795","0.054","","","0.1161","0.1294","","","","","","0.929","","","","has coordinates","301865","2025-08-22","16:16:46",""
"7222331","12.0677","0.0004","18.149","0.0004","12.1215","0.0004","90","","110.818","0.004","90","","2481.49","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O7 Pb -","- C24 H21.38 N6 O7 Pb -","- C96 H85.52 N24 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0347","0.0269","","","0.0634","0.066","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222347","8.9739","0.0007","9.4407","0.0006","11.7436","0.0008","92.162","0.005","96.638","0.006","104.282","0.006","955.43","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 B2 F8 N8 -","- C34 H40 Ag2 B2 F8 N8 -","- C34 H40 Ag2 B2 F8 N8 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0587","0.05","","","0.1235","0.1294","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222348","8.7304","0.0007","9.6666","0.0009","13.3193","0.001","96.972","0.007","100.487","0.006","104.709","0.007","1052.33","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 B2 F8 N10 -","- C38 H46 Ag2 B2 F8 N10 -","- C38 H46 Ag2 B2 F8 N10 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0767","0.0575","","","0.1416","0.1574","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222349","10.1464","0.0011","14.2825","0.0014","15.3309","0.0017","111.046","0.01","97.101","0.009","101.812","0.009","1981.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C36 H43 Ag2 B2 F8 N9 -","- C36 H43 Ag2 B2 F8 N9 -","- C72 H86 Ag4 B4 F16 N18 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.1015","0.0575","","","0.1281","0.1592","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:16:46",""
"7222350","10.037","0.0005","14.3332","0.0006","15.4185","0.0008","111.125","0.004","97.059","0.004","100.307","0.004","1992.81","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C37 H46 Ag2 B2 F8 N8 O -","- C37 H46 Ag2 B2 F8 N8 O -","- C74 H92 Ag4 B4 F16 N16 O2 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0745","0.0504","","","0.1197","0.1386","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:16:46",""
"7222351","9.8865","0.0005","14.2717","0.0008","15.4908","0.0008","109.722","0.005","96.569","0.004","101.58","0.004","1975.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C36 H46 Ag2 B2 F8 N8 O -","- C36 H46 Ag2 B2 F8 N8 O -","- C72 H92 Ag4 B4 F16 N16 O2 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0882","0.0662","","","0.1768","0.1919","","","","","","1.092","","","","has coordinates,has disorder","301865","2025-08-22","16:16:46",""
"7222352","8.907","0.0004","9.6544","0.0004","12.2203","0.0005","92.845","0.002","103.284","0.002","101.842","0.002","995.78","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 F12 N8 Sb2 -","- C34 H40 Ag2 F12 N8 Sb2 -","- C34 H40 Ag2 F12 N8 Sb2 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","1.54178","CuKα","","0.0471","0.0388","","","0.0895","0.0931","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222366","22.92","0.01","23.62","0.01","36.17","0.02","90","","90","","90","","19581","16","100","2","100","2","","","","","","","","4","P c a n","-P 2n 2c","60","","","","- C94.8 H137.2 N O23.8 -","- C86 H124 N O15 -","- C688 H992 N8 O120 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.9","","","0.1537","0.1118","","","0.2035","0.2162","","","","","","1.026","","","","has coordinates,has disorder","171039","2020-10-21","18:00:00",""
"7222367","22.59","0.01","16.93","0.01","25.77","0.02","90","","92.54","0.04","90","","9846","11","446","2","446","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C92.5 H134.25 F8.25 N O17.75 -","- C92.5 H134.25 F8.25 N O17.75 -","- C370 H537 F33 N4 O71 -","4","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8856","","","0.1462","0.1187","","","0.3095","0.3476","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222368","22.509","0.001","22.972","0.002","35.249","0.002","90","","90","","90","","18226","2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C89.1 H128.9 F3.9 K0.1 N O16.3 -","- C86.5 H123 K0.1 N O15 -","- C692 H984 K0.8 N8 O120 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8","","","0.1579","0.1251","","","0.3275","0.3592","","","","","","0.974","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222369","9.8448","0.0008","21.9422","0.0018","22.4274","0.0018","90","","90","","90","","4844.7","0.7","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C228 H216 O48 -","12","1.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0833","0.0544","","","0.1361","0.1472","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:16:46",""
"7222370","10.5945","0.0016","12.9146","0.0019","15.642","0.002","91.073","0.002","94.126","0.002","93.942","0.002","2129","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H92 Cu2 N4 O18 -","- C96 H92 Cu2 N4 O18 -","- C96 H92 Cu2 N4 O18 -","1","0.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0796","0.0489","","","0.1391","0.1754","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:16:46",""
"7222371","10.6479","0.0012","12.8941","0.0015","32.484","0.004","90","","90","","90","","4459.9","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H30 Cu O9 -","- C21 H30 Cu O9 -","- C168 H240 Cu8 O72 -","8","1","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0819","0.0806","","","0.1713","0.1719","","","","","","1.183","","","","has coordinates,has disorder","171062","2020-10-21","18:00:00",""
"7222372","31.962","0.002","31.962","0.002","12.6995","0.001","90","","90","","90","","12973.4","1.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H31 Cu N3 O4 -","- C34 H31 Cu N3 O4 -","- C544 H496 Cu16 N48 O64 -","16","0.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0394","0.0302","","","0.0837","0.0877","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222373","11.0623","0.0012","22.07","0.002","10.3481","0.0011","90","","108.293","0.002","90","","2398.8","0.4","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C53 H47 Cu2 N3 O8 -","- C53 H47 Cu2 N3 O8 -","- C106 H94 Cu4 N6 O16 -","2","0.25","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0657","0.0481","","","0.1016","0.1076","","","","","","0.989","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222397","21.9124","0.0004","28.8956","0.0005","26.8085","0.0005","90","","108.904","0.0007","90","","16058.8","0.5","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H78.5 B2 Co Fe2 N6 O2 -","- C102.25 H78.5 B2 Co Fe1.9995 N6 O2.25 -","- C818 H628 B16 Co8 Fe15.996 N48 O18 -","8","2","","Bovill, Sally M.; Saines, Paul J.","Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates","CrystEngComm","2015","17","43","8319","","10.1039/C5CE01628B","","","0.71075","MoKα","","0.1031","0.0787","","","0.1961","0.2126","","","","","","1.01","","","","has coordinates","171056","2020-10-21","18:00:00",""
"7222398","12.6886","","13.1123","","19.4242","","81.413","","75.481","","71.412","","2956.84","","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","1","0.5","","Bovill, Sally M.; Saines, Paul J.","Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates","CrystEngComm","2015","17","43","8319","","10.1039/C5CE01628B","","","0.71075","MoKα","","0.1921","0.0979","","","0.2596","0.3503","","","","","","1.071","","","","has coordinates","171056","2020-10-21","18:00:00",""
"7222399","18.5689","0.0002","9.5521","0.0001","18.3723","0.0002","90","","107.433","0.001","90","","3109.05","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Methyl-triphenyl-germane","Methyltriphenyl germanium","","- C19 H18 Ge -","- C19 H18 Ge -","- C152 H144 Ge8 -","8","2","","Bernatowicz, Piotr; Shkurenko, Aleksander; Osior, Agnieszka; Kamieński, Bohdan; Szymański, Sławomir","A quantum mechanical alternative to the Arrhenius equation in the interpretation of proton spin-lattice relaxation data for the methyl groups in solids.","Physical chemistry chemical physics : PCCP","2015","17","43","28866","28878","10.1039/c5cp04924e","","","0.71073","MoKα","","0.0518","0.034","","","0.0743","0.0793","","","","","","1.06","","","","has coordinates","301865","2025-08-22","16:16:46",""
"7222437","23.29","0.003","23.29","0.003","23.29","0.003","90","","90","","90","","12633","3","113.15","","113.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C46.25 H55.75 N20.38 Ni3 O12.38 -","- C30 H18 N15 Ni3 O7 -","- C240 H144 N120 Ni24 O56 -","8","0.166667","","Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He","Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption","CrystEngComm","2015","17","43","8198","","10.1039/C5CE01340B","","","0.71073","MoKα","","0.0294","0.0289","","","0.0762","0.0766","","","","","","1.111","","","","has coordinates","171058","2020-10-21","18:00:00",""
"7222438","23.57","0.003","23.57","0.003","23.57","0.003","90","","90","","90","","13094","3","113.15","","113.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C38 H40 Co3 N18 O9 -","- C30 H18 Co3 N15 O7 -","- C240 H144 Co24 N120 O56 -","8","0.166667","","Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He","Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption","CrystEngComm","2015","17","43","8198","","10.1039/C5CE01340B","","","0.71073","MoKα","","0.0762","0.0661","","","0.1594","0.1648","","","","","","1.04","","","","has coordinates","171058","2020-10-21","18:00:00",""
"7222439","4.92","0.001","15.711","0.003","18.775","0.004","90","","92.98","0.03","90","","1449.3","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Au Cl2 N2 O3 -","- C33 H29 Au Cl2 N2 O3 -","- C66 H58 Au2 Cl4 N4 O6 -","2","1","","Siu, Steven Kin-Lok; Po, Charlotte; Yim, King-Chin; Au, Vonika Ka-Man; Yam, Vivian Wing-Wah","Synthesis, characterization and spectroscopic studies of luminescentl-valine modified alkynyl-based cyclometalated gold(iii) complexes with gelation properties driven by π‒π stacking, hydrogen bonding and hydrophobic‒hydrophobic interactions","CrystEngComm","2015","17","42","8153","","10.1039/C5CE01136A","","","0.85","","","0.0503","0.0502","","","0.1321","0.1323","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222443","18.0026","0.0005","18.0026","0.0005","13.3316","0.0002","90","","90","","120","","3741.82","0.16","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 H72 Be12 N8 O54 P16 -","- C12 H60 Be12 N8 O48 P16 -","- C24 H120 Be24 N16 O96 P32 -","2","0.166667","","Wang, Guo-Ming; Li, Jin-Hua; Wei, Li; Han, Song-De; Zhao, Xiao-Meng; Bao, Zhen-Zhen","An open-framework beryllium phosphite with extra-large 18-ring channels","CrystEngComm","2015","17","44","8414","","10.1039/C5CE01507C","","","0.71073","MoKα","","0.0929","0.0783","","","0.1518","0.1593","","","","","","1.228","","","","has coordinates","171044","2020-10-21","18:00:00",""
"7222446","20.803","0.002","9.503","0.0005","14.7247","0.0013","90","","100.224","0.008","90","","2864.7","0.4","393","2","393","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.3087","0.1192","","","0.2769","0.364","","","","","","0.735","","","","has coordinates","160724","2020-10-21","18:00:00",""
"7222447","20.798","0.002","9.502","0.0005","14.4536","0.0016","90","","100.8","0.009","90","","2805.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.1417","0.0663","","","0.1522","0.1796","","","","","","0.815","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7222450","9.986","0.009","15.21","0.016","6.35","0.006","90","","99.09","0.03","90","","952.4","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl2 K O6 -","- C6 H5 Cl2 K O6 -","- C24 H20 Cl8 K4 O24 -","4","1","","Molčanov, Krešimir; Stare, Jernej; Kojić-Prodić, Biserka; Lecomte, Claude; Dahaoui, Slimane; Jelsch, Christian; Wenger, Emmanuel; Šantić, Ana; Zarychta, Bartosz","A polar/πmodel of interactions explains face-to-face stacked quinoid rings: a case study of the crystal of potassium hydrogen chloranilate dihydrate","CrystEngComm","2015","17","45","8645","","10.1039/C5CE01037C","","","0.71073","MoKα","","0.0253","0.013","","","0.0262","0.0272","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222451","9.9843","0.0006","9.9843","0.0006","18.2816","0.0018","90","","90","","90","","1822.4","0.2","173","2","173","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C16 H6 In O8 -","- C16 H6 In O8 -","- C32 H12 In2 O16 -","2","0.125","","Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun","Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials","CrystEngComm","2015","17","44","8512","","10.1039/C5CE01376C","","","0.71073","MoKα","","0.0805","0.0682","","","0.2076","0.2219","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222452","19.7244","0.0001","17.0814","0.0001","9.9554","0.0001","90","","90","","90","","3354.18","0.04","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","InOF-13","InOF-13","","- C22 H19 In N2 O8 -","- C22 H19 In N2 O8 -","- C88 H76 In4 N8 O32 -","4","1","","Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun","Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials","CrystEngComm","2015","17","44","8512","","10.1039/C5CE01376C","","","1.54184","CuKα","","0.0424","0.0417","","","0.1155","0.1164","","","","","","1.134","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222453","10.387","0.002","10.78","0.002","17.168","0.004","90.321","0.004","95.987","0.004","93.823","0.004","1907.4","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","2-(4-((E)-2-(5-((E)-2,4-bis(dibutylamino)styryl)thiophen-2-yl)vinyl)-3-cyano-5,5-dimethylfuran-2(5H)-ylidene)malononitrile","C3","","- C40 H51 N5 O S -","- C40 H51 N5 O S -","- C80 H102 N10 O2 S2 -","2","1","","Xu, Huajun; Yang, Dan; Liu, Fenggang; Fu, Mingkai; Bo, Shuhui; Liu, Xinhou; Cao, Yuan","Nonlinear optical chromophores based on Dewar's rules: enhancement of electro-optic activity by introducing heteroatoms into the donor or bridge.","Physical chemistry chemical physics : PCCP","2015","17","44","29679","29688","10.1039/c5cp04959h","","","0.71073","MoKα","","0.0892","0.0598","","","0.1506","0.1714","","","","","","1.002","","","","has coordinates,has disorder","301865","2025-08-22","16:16:46",""
"7222459","6.467","0.002","6.4665284","","6.4665284","","90","","90","","90","","270.42","0.08","","","","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Sn Alpha","","","- Sn -","- Sn -","- Sn8 -","8","0.0416667","","Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen","In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries","CrystEngComm","2015","17","44","8500","","10.1039/C5CE01841B","","","","","","0.0518853","","","0.0758787","","","","","0.0261653","","","","","","","has coordinates","264415","2021-04-22","14:10:20",""
"7222460","5.8393","0.0007","5.8392763","","3.1876","0.0004","90","","90","","90","","108.689","0.019","","","","","","","","","","","","1","I 41/a m d :1","I 4bw 2bw -1bw","141","Sn Beta","","","- Sn -","- Sn -","- Sn4 -","4","0.125","","Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen","In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries","CrystEngComm","2015","17","44","8500","","10.1039/C5CE01841B","","","","","","0.0518853","","","0.0758787","","","","","0.0261653","","","","","","","has coordinates","264415","2021-04-22","14:10:31",""
"7222893","28.3363","0.0008","13.4618","0.0003","18.2577","0.0006","90","","106.78","0.003","90","","6668","0.3","100.02","0.1","100.02","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69.5 H66 Cd N4 O11.5 S2 -","- C69.5 H66 Cd N4 O11.5 S2 -","- C278 H264 Cd4 N16 O46 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.055","0.0513","","","0.1468","0.1522","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222894","28.4411","0.0008","13.5404","0.0003","18.3193","0.0005","90","","107.657","0.003","90","","6722.5","0.3","107","10","107","10","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Cd N4 O10 S2 -","- C75.998 H70 Cd N4 O10 S2 -","- C303.992 H280 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0547","0.0484","","","0.1312","0.1368","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222895","28.3542","0.0006","13.5093","0.0002","18.2748","0.0003","90","","107.387","0.002","90","","6680.2","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cd N4 O10 S2 -","- C70 H64 Cd N4 O10 S2 -","- C280 H256 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.041","0.0382","","","0.1158","0.118","","","","","","1.103","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222896","28.4302","0.0006","13.5048","0.0002","18.2481","0.0004","90","","107.277","0.002","90","","6690.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cd N4 O10 S2 -","- C70 H64 Cd N4 O10 S2 -","- C280 H256 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0564","0.052","","","0.1562","0.1607","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222897","28.7379","0.0011","13.4646","0.0004","18.2108","0.0008","90","","108.003","0.004","90","","6701.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Cd N4 O10 S2 -","- C78 H74 Cd N4 O10 S2 -","- C312 H296 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0604","0.0527","","","0.1539","0.1597","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222998","15.3138","0.0007","23.0323","0.0006","14.3495","0.0006","90","","115.858","0.005","90","","4554.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Ag3 Co I5 N8 -","- C40 H30 Ag3 Co I5 N8 -","- C160 H120 Ag12 Co4 I20 N32 -","4","1","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.0779","0.0504","","","0.1041","0.118","","","","","","1.044","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7222999","14.8002","0.0016","14.8002","0.0016","24.789","0.003","90","","90","","120","","4702.5","0.9","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C72 H50 Ag11 Co2 I15 N12 O -","- C72 H48 Ag11.0001 Co2 I15 N12 O -","- C144 H96 Ag22.0002 Co4 I30 N24 O2 -","2","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1406","0.1329","","","0.2941","0.2981","","","","","","1.288","","","","has coordinates,has disorder","173758","2020-10-21","18:00:00",""
"7223000","22.7105","0.0005","22.7105","0.0005","22.7105","0.0005","90","","90","","90","","11713.3","0.4","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C72 H78 Ag13 Co2 I17 N12 O15 -","- C72 H48 Ag13 Co2 I17 N12 -","- C288 H192 Ag52 Co8 I68 N48 -","4","0.333333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1182","0.0675","","","0.1574","0.1784","","","","","","1.056","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223001","14.868","0.003","14.868","0.003","25.012","0.004","90","","90","","120","","4788.3","1.6","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C144 H100 Ag24 Cu4 I33 N24 O2 -","- C144 H96 Ag24 Cu4 I33 N24 O2 -","- C144 H96 Ag24 Cu4 I33 N24 O2 -","1","0.0833333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.2204","0.1696","","","0.3761","0.4104","","","","","","1.033","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223002","22.9931","0.0002","22.9931","0.0002","22.9931","0.0002","90","","90","","90","","12156","0.18","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Cd2 I17 N12 O15 -","- C72 H48 Ag14 Cd2 I17 N12 -","- C288 H192 Ag56 Cd8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1121","0.082","","","0.2293","0.2676","","","","","","1.077","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223003","14.8402","0.0004","14.8402","0.0004","24.9918","0.0008","90","","90","","120","","4766.6","0.2","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C144 H100 Ag24 Co4 I33 N24 O2 -","- C144 H96 Ag24 Co4 I33 N24 O2 -","- C144 H96 Ag24 Co4 I33 N24 O2 -","1","0.0833333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.0901","0.0724","","","0.2319","0.2486","","","","","","1.156","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223004","22.8119","0.0003","22.8119","0.0003","22.8119","0.0003","90","","90","","90","","11870.9","0.3","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Co2 I17 N12 O15 -","- C72 H48 Ag14 Co2 I17 N12 -","- C288 H192 Ag56 Co8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1064","0.074","","","0.2075","0.2366","","","","","","1.103","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223005","41.711","0.006","11.8124","0.0017","16.553","0.002","90","","98.582","0.003","90","","8064.5","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 F18 O18 S12 Yb2 -","- C60 H54 F18 O18 S12 Yb2 -","- C240 H216 F72 O72 S48 Yb8 -","4","0.5","","Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei","Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates.","Physical chemistry chemical physics : PCCP","2015","17","45","30510","30517","10.1039/c5cp05888k","","","0.71073","MoKα","","0.1101","0.0646","","","0.1614","0.1909","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223006","10.914","0.0003","11.4933","0.0005","26.0098","0.001","90","","90","","90","","3262.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 F9 O7 S4 Yb -","- C26 H18 F9 O7 S4 Yb -","- C104 H72 F36 O28 S16 Yb4 -","4","1","","Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei","Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates.","Physical chemistry chemical physics : PCCP","2015","17","45","30510","30517","10.1039/c5cp05888k","","","0.71073","MoKα","","0.0635","0.0519","","","0.1025","0.1091","","","","","","1.102","","","","has coordinates,has disorder","171362","2020-10-21","18:00:00",""
"7223010","7.8996","0.0005","9.7188","0.0004","10.8839","0.0007","97.916","0.004","95.921","0.006","113.064","0.005","750.09","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O7 Zn -","- C16 H13 N O7 Zn -","- C32 H26 N2 O14 Zn2 -","2","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0435","0.0348","","","0.0757","0.0812","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223011","10.1604","0.0006","11.2134","0.0006","12.1942","0.0007","102.647","0.005","95.448","0.004","107.156","0.005","1276.19","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cd N3 O6 -","- C29 H23 Cd N3 O6 -","- C58 H46 Cd2 N6 O12 -","2","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0551","0.0477","","","0.1242","0.1309","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223012","9.952","0.0003","12.9516","0.0004","13.4675","0.0005","90","","104.847","0.004","90","","1677.93","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cd N2 O5 -","- C21 H13 Cd N2 O5 -","- C84 H52 Cd4 N8 O20 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0408","0.0326","","","0.0691","0.0724","","","","","","1.114","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223013","24.0555","0.0009","7.792","0.0003","18.1219","0.0006","90","","100.783","0.003","90","","3336.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 N2 O5 Zn -","- C21 H13 N2 O5 Zn -","- C168 H104 N16 O40 Zn8 -","8","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0435","0.032","","","0.0709","0.0766","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223014","22.12","0.006","17.647","0.004","25.391","0.006","90","","97.171","0.004","90","","9834","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H60 N8 O24 Zn4 -","- C88 H56 N8 O24 Zn4 -","- C352 H224 N32 O96 Zn16 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.099","0.0791","","","0.2501","0.2777","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223015","9.5144","0.0005","18.7601","0.0007","13.7258","0.0005","90","","92.244","0.004","90","","2448.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0344","0.0306","","","0.0715","0.0741","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223016","8.6783","0.0004","18.8256","0.0007","14.1402","0.0006","90","","91.928","0.004","90","","2308.84","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O7 Zn -","- C26 H21 N3 O7 Zn -","- C104 H84 N12 O28 Zn4 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0495","0.0348","","","0.0732","0.0809","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223024","6.6923","0.0002","7.5956","0.0002","22.7742","0.0006","90","","90","","90","","1157.66","0.06","173","2","173","2","","","101.3","","","","","4","C m c 21","C 2c -2","36","3HNHPI","3-Hydroxy-N-cyclohexylphthalimide","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","0.5","","Kanosue, Kenta; Ando, Shinji","Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds.","Physical chemistry chemical physics : PCCP","2015","17","45","30659","30669","10.1039/c5cp05055c","","x-ray","1.54186","CuKα","","0.0371","0.0342","","","0.0892","0.0933","","","","","","1.113","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7223025","5.0909","0.0001","5.2071","0.0001","23.0054","0.0004","93.826","0.001","94.857","0.001","98.102","0.001","599.68","0.02","173","2","173","2","","","101.3","","","","","4","P -1","-P 1","2","DHNHPI","3,6-Dihydroxy-N-cyclohexylphthalimide","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C28 H30 N2 O8 -","2","1","","Kanosue, Kenta; Ando, Shinji","Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds.","Physical chemistry chemical physics : PCCP","2015","17","45","30659","30669","10.1039/c5cp05055c","","x-ray","1.54186","CuKα","","0.051","0.043","","","0.1339","0.139","","","","","","1.212","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7223033","26.9021","0.001","17.0746","0.0006","27.7311","0.001","90","","119.295","0.001","90","","11109","0.7","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 N6 Nd4 O40 -","- C98 H126 N6 Nd4 O40 -","- C392 H504 N24 Nd16 O160 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0573","0.039","","","0.1003","0.1135","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7223034","26.836","0.0016","16.9273","0.001","27.3958","0.0016","90","","118.806","0.001","90","","10904.9","1.1","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 N6 O40 Sm4 -","- C98 H124 N6 O40 Sm4 -","- C392 H496 N24 O160 Sm16 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0394","0.0311","","","0.0918","0.0993","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223035","26.8066","0.0009","16.8139","0.0006","27.5667","0.001","90","","119.657","0.001","90","","10797.3","0.7","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 Gd4 N6 O40 -","- C98 H126 Gd4 N6 O40 -","- C392 H504 Gd16 N24 O160 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0542","0.0377","","","0.1031","0.1204","","","","","","1.127","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7223036","12.7298","0.0008","12.941","0.0008","14.4839","0.0009","79.788","0.001","74.518","0.001","72.818","0.001","2184.2","0.2","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H100 Dy4 N4 O34 -","- C76 H94 Dy4 N4 O34 -","- C76 H94 Dy4 N4 O34 -","1","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0605","0.043","","","0.113","0.1211","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223037","10.6807","0.0006","8.8299","0.0008","10.9759","0.0005","90","","94.604","0.005","90","","1031.79","0.12","295","2","295","2","","","100","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0349","0.0286","","","0.0621","0.0677","","","","","","1.114","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223038","10.6575","0.0005","8.7649","0.0009","10.9567","0.0005","90","","94.589","0.005","90","","1020.21","0.12","295","2","295","2","","","150000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0312","0.0271","","","0.0557","0.0578","","","","","","1.084","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223039","10.6184","0.0004","8.6082","0.0008","10.9307","0.0004","90","","94.591","0.004","90","","995.92","0.11","295","2","295","2","","","580000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0303","0.0266","","","0.0614","0.0634","","","","","","1.058","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223040","10.6243","0.0005","8.403","0.0008","10.9113","0.0005","90","","94.483","0.004","90","","971.14","0.11","295","2","295","2","","","970000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0273","0.024","","","0.0531","0.0559","","","","","","1.118","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223041","10.6792","0.0004","8.0977","0.0007","10.9004","0.0004","90","","94.192","0.004","90","","940.11","0.1","295","2","295","2","","","1610000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.027","0.0239","","","0.0507","0.0525","","","","","","1.058","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223042","10.675","0.0005","7.8148","0.0008","10.8204","0.0004","90","","93.829","0.004","90","","900.66","0.11","295","2","295","2","","","2600000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0266","0.0231","","","0.0525","0.0551","","","","","","1.108","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223043","10.6557","0.0004","7.7006","0.0007","10.7594","0.0004","90","","93.693","0.004","90","","881.03","0.09","295","2","295","2","","","3300000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0292","0.0249","","","0.0492","0.0512","","","","","","1.118","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223044","10.6379","0.0004","7.6361","0.0006","10.7112","0.0003","90","","93.601","0.003","90","","868.38","0.08","295","2","295","2","","","3800000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0247","0.0224","","","0.0487","0.0498","","","","","","1.08","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223045","10.6148","0.0004","7.568","0.0007","10.6476","0.0004","90","","93.508","0.003","90","","853.75","0.09","295","2","295","2","","","4400000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0265","0.024","","","0.0557","0.0575","","","","","","1.083","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223046","10.6023","0.0005","7.5308","0.0007","10.6049","0.0004","90","","93.439","0.004","90","","845.21","0.09","295","2","295","2","","","4800000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0273","0.0252","","","0.0586","0.0603","","","","","","1.07","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223047","10.5931","0.0004","7.4783","0.0007","10.5357","0.0004","90","","93.3","0.004","90","","833.24","0.09","295","2","295","2","","","5500000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0261","0.0232","","","0.0536","0.0564","","","","","","1.098","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223048","10.5914","0.0005","7.4435","0.0007","10.4601","0.0004","90","","93.121","0.004","90","","823.42","0.09","295","2","295","2","","","6010000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0281","0.0256","","","0.0603","0.0618","","","","","","1.089","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223049","10.7595","0.0005","7.439","0.0006","10.089","0.0004","90","","90","","90","","807.52","0.08","295","2","295","2","","","6850000","","","","","5","C m c m","-C 2c 2","63","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.25","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.029","0.027","","","0.0622","0.0637","","","","","","1.053","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223050","9.3753","0.0004","16.5379","0.0008","18.0472","0.0009","90","","101.094","0.001","90","","2745.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 N8 O8 Zn2 -","- C56 H42 N8 O8 Zn2 -","- C112 H84 N16 O16 Zn4 -","2","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0706","0.0476","","","0.128","0.1359","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223051","8.928","0.002","16.369","0.004","17.65","0.004","90","","99.023","0.004","90","","2547.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N4 O5 Zn -","- C28 H23 N4 O5 Zn -","- C112 H92 N16 O20 Zn4 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0866","0.0574","","","0.1738","0.1937","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223052","24.15","0.02","14.463","0.013","8.914","0.008","90","","90.251","0.016","90","","3113","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cu N4 O8 -","- C36 H26 Cu N4 O8 -","- C144 H104 Cu4 N16 O32 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0914","0.0672","","","0.1812","0.2004","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223053","11.573","0.003","13.892","0.004","14.655","0.004","62.631","0.004","68.977","0.004","68.8","0.004","1897.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H44 Co4 N12 O18 -","- C74 H44 Co4 N12 O18 -","- C74 H44 Co4 N12 O18 -","1","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.083","0.0544","","","0.1395","0.1533","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223054","7.455","0.006","17.478","0.014","17.024","0.013","90","","101.686","0.013","90","","2172","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N4 Ni O5 -","- C25 H19 N4 Ni O4 -","- C100 H76 N16 Ni4 O16 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0931","0.0553","","","0.1341","0.1506","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223055","12.0561","0.0002","13.4846","0.0003","21.0459","0.0005","90","","97.4474","0.0009","90","","3392.6","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.6 H29.2 Cl1.2 N2 Ni P2 S2 -","- C36.6 H29.2 Cl1.2 N2 Ni P2 S2 -","- C146.4 H116.8 Cl4.8 N8 Ni4 P8 S8 -","4","1","","Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav","New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses","CrystEngComm","2015","17","47","9175","","10.1039/C5CE01526J","","","0.71073","MoKα","","0.0922","0.0505","","","0.1151","0.1331","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7223056","11.7944","0.0001","18.1645","0.0002","61.6538","0.0008","90","","90","","90","","13208.7","0.3","150","2","150","2","","","","","","","","7","F 2 d d","F -2d 2","43","","","","- C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8 -","- C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8 -","- C549.6 H459.2 Cl11.2 N32 Ni16 P32 S32 -","4","0.25","","Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav","New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses","CrystEngComm","2015","17","47","9175","","10.1039/C5CE01526J","","","0.71073","MoKα","","0.0481","0.0346","","","0.0707","0.0758","","","","","","1.073","","","","has coordinates,has disorder","301865","2025-08-22","16:16:47",""
"7223075","20.669","0.003","13.906","0.003","12.406","0.002","90","","90","","90","","3565.8","1.1","296.15","","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H18 B0.5 N2.5 -","- C22 H18 B0.5 N2.5 -","- C176 H144 B4 N20 -","8","1","","Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy","Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination.","Physical chemistry chemical physics : PCCP","2015","17","45","30424","30432","10.1039/c5cp05378a","","","0.71073","MoKα","","0.1165","0.0555","","","0.1684","0.2508","","","","","","0.8987","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223076","8.2822","0.0018","11.668","0.003","16.026","0.004","97.984","0.006","94.609","0.006","101.2","0.006","1495.3","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H34 B N3 -","- C35 H34 B N3 -","- C70 H68 B2 N6 -","2","1","","Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy","Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination.","Physical chemistry chemical physics : PCCP","2015","17","45","30424","30432","10.1039/c5cp05378a","","","0.71073","MoKα","","0.3028","0.0992","","","0.1718","0.2293","","","","","","0.964","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223093","5.453","0.0005","8.0998","0.0009","14.4067","0.0017","95.208","0.01","98.408","0.009","107.43","0.007","594.44","0.12","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 Cu5 O20 S2 -","- C10 H26 Cu5 O20 S2 -","- C10 H26 Cu5 O20 S2 -","1","0.5","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0453","0.0369","","","0.0952","0.1024","","","","","","1.033","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223094","8.1058","0.0006","8.5966","0.0007","15.1429","0.0012","90.034","0.004","95.059","0.005","99.868","0.005","1035.4","0.14","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu4 O14 S -","- C12 H22 Cu4 O14 S -","- C24 H44 Cu8 O28 S2 -","2","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0577","0.0486","","","0.1291","0.1368","","","","","","0.928","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223095","16.769","0.012","6.45","0.004","10.595","0.007","90","","95.894","0.007","90","","1139.9","1.3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu2 O6 S -","- C8 H12 Cu2 O6 S -","- C32 H48 Cu8 O24 S4 -","4","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0887","0.0544","","","0.1071","0.1239","","","","","","1.083","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223096","15.493","0.004","6.449","0.0014","10.597","0.003","90","","97.476","0.007","90","","1049.8","0.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cu2 O6 S -","- C7 H10 Cu2 O6 S -","- C28 H40 Cu8 O24 S4 -","4","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0523","0.0358","","","0.0779","0.0853","","","","","","1.013","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223097","16.394","0.003","13.578","0.003","18.261","0.003","90","","115.509","0.003","90","","3668.6","1.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Co2 N2 O12 -","- C41 H36 Co2 N2 O11.25 -","- C164 H144 Co8 N8 O45 -","4","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71073","MoKα","","0.1473","0.0656","","","0.1215","0.1376","","","","","","0.998","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223098","7.7565","0.0006","9.5643","0.0008","15.1895","0.0014","96.781","0.007","94.868","0.007","110.509","0.007","1038.34","0.16","298.5","0.4","298.5","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N2 O7 -","- C23 H20 Mn N2 O7 -","- C46 H40 Mn2 N4 O14 -","2","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71073","MoKα","","0.0887","0.0536","","","0.081","0.0983","","","","","","1.013","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223099","7.3524","0.0004","10.8982","0.0005","24.64","0.0014","90.393","0.004","90.391","0.004","98.794","0.004","1951.03","0.18","298.2","0.5","298.2","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Mn N2 O8 -","- C20 H19 Mn N2 O8 -","- C80 H76 Mn4 N8 O32 -","4","2","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71","MoKα","","0.1091","0.0635","","","0.1347","0.1597","","","","","","0.986","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223100","9.8337","0.0012","10.0529","0.0007","15.735","0.003","98.507","0.01","106.136","0.013","97.295","0.008","1454.5","0.4","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Co N4 O5 -","- C34 H27 Co N4 O5 -","- C68 H54 Co2 N8 O10 -","2","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","x-ray","0.71073","MoKα","","0.1731","0.0952","","","0.1686","0.2183","","","","","","1.019","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223101","5.2605","0.0011","9.4604","0.0019","20.691","0.004","90","","90.7","0.03","90","","1029.6","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1681","0.0846","","","0.164","0.194","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223102","9.408","0.0019","10.249","0.002","12.766","0.003","106.25","0.03","90.87","0.03","115.16","0.03","1056.8","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 F2 -","- C30 H20 F2 -","- C60 H40 F4 -","2","1","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1324","0.0679","","","0.1579","0.1926","","","","","","1.003","","","","has coordinates","173767","2020-10-21","18:00:00",""
"7223103","6.9264","0.0014","9.7188","0.0019","9.951","0.002","64.11","0.03","71.29","0.03","76.17","0.03","566.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 Cl2 -","- C30 H20 Cl2 -","- C30 H20 Cl2 -","1","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1607","0.0711","","","0.122","0.1454","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223104","4.622","0.0009","27.568","0.006","9.282","0.0019","90","","103.74","0.03","90","","1148.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Br2 -","- C30 H20 Br2 -","- C60 H40 Br4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.2021","0.0856","","","0.142","0.1797","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223105","4.65","0.0009","28.225","0.006","9.326","0.0019","90","","104.36","0.03","90","","1185.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 I2 -","- C30 H20 I2 -","- C60 H40 I4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.2034","0.0785","","","0.0977","0.1286","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223106","17.6732","0.0011","7.1183","0.0004","29.6076","0.0017","90","","100.828","0.002","90","","3658.4","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N O -","- C24 H22 N O -","- C192 H176 N8 O8 -","8","1","","Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro","π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals.","Physical chemistry chemical physics : PCCP","2015","17","47","31646","31652","10.1039/c5cp05994a","","","0.7107","MoKα","","0.0597","0.0517","","","0.1307","0.1374","","","","","","1.128","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223107","8.7919","0.0006","26.2294","0.0018","8.1257","0.0007","90","","103.413","0.003","90","","1822.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N O -","- C24 H22 N O -","- C96 H88 N4 O4 -","4","1","","Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro","π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals.","Physical chemistry chemical physics : PCCP","2015","17","47","31646","31652","10.1039/c5cp05994a","","","0.7107","MoKα","","0.058","0.0467","","","0.1084","0.1159","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223119","8.6157","0.0002","9.9155","0.0002","13.1345","0.0004","97.391","0.001","102.24","0.001","109.899","0.001","1006.17","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Propranolol fumarate (1:1)","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.0563","0.0476","","","0.1207","0.1273","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223120","7.7989","0.0003","9.1669","0.0004","12.4724","0.0006","89.47","0.002","75.754","0.002","76.412","0.003","838.95","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Propranolol fumarate (2:1)","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C36 H46 N2 O8 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.0705","0.0515","","","0.115","0.1255","","","","","","1.044","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223121","9.201","0.0003","8.7153","0.0003","24.771","0.0011","90","","94.618","0.001","90","","1979.92","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Propranolol maleate (1:1)","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2376","0.0826","","","0.1179","0.1528","","","","","","0.98","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223122","8.1696","0.0003","5.6053","0.0002","18.9321","0.0009","90","","98.82","0.002","90","","856.71","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N O4 -","- C18 H23 N O6 -","- C36 H46 N2 O12 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.1305","0.0044","","","0.0054","0.0157","","","","","","0.092","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223123","10.7741","0.0002","11.3507","0.0002","28.2413","0.0006","90","","90","","90","","3453.73","0.11","173","2","173","2","","","","","","","","4","P b n 21","P 2c -2ab","33","Propranolol oxalate methanol solvate (2:1:1)","","","- C34.9 H47.6 N2 O8.9 -","- C34.9 H47.6 N2 O8.9 -","- C139.6 H190.4 N8 O35.6 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2359","0.0792","","","0.1215","0.1601","","","","","","0.988","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223124","12.9928","0.0006","6.4517","0.0003","19.842","0.0013","90","","106.6","0.002","90","","1593.95","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Propranolol oxalate (2:1)","","","- C17 H22 N O4 -","- C17 H22 N O4 -","- C68 H88 N4 O16 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2767","0.1619","","","0.399","0.4529","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223145","9.625","0.0003","13.5168","0.0004","23.6869","0.0007","90","","111.174","0.001","90","","2873.6","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Eu2 N3 O21 -","- C21 H21 Eu2 N3 O21 -","- C84 H84 Eu8 N12 O84 -","4","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0183","0.0161","","","0.039","0.0401","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223146","9.557","0.0019","13.361","0.003","23.414","0.006","90.16","0.03","111.68","0.03","89.29","0.03","2778","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O21 Tb2 -","- C21 H21 N3 O21 Tb2 -","- C84 H84 N12 O84 Tb8 -","4","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0315","0.0263","","","0.0659","0.0692","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223147","8.234","0.0016","10.489","0.002","13.085","0.003","93.86","0.03","102.68","0.03","106.85","0.03","1044.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H3 Gd2 N O20 -","- C11 H3 Gd2 N O20 -","- C22 H6 Gd4 N2 O40 -","2","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0257","0.022","","","0.0804","0.0948","","","","","","1.274","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223148","10.5042","0.0013","43.81","0.004","43.81","0.004","90","","90","","90","","20161","4","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H22 Cd N2 O4 -","- C27 H22 Cd N2 O4 -","- C864 H704 Cd32 N64 O128 -","32","1","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0663","0.0422","","","0.0941","0.1101","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223149","10.0555","0.0015","18.049","0.003","10.8042","0.0017","90","","107.127","0.005","90","","1873.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Cu2 N2 O8 -","- C41 H30 Cu2 N2 O8 -","- C82 H60 Cu4 N4 O16 -","2","0.5","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0595","0.0371","","","0.0801","0.0888","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223150","17.7194","0.0007","11.712","0.0005","23.0697","0.0009","90","","90","","90","","4787.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O4 Zn -","- C27 H22 N2 O4 Zn -","- C216 H176 N16 O32 Zn8 -","8","1","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0786","0.0474","","","0.1107","0.1309","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223151","10.592","0.004","11.235","0.005","13.182","0.007","93.99","0.03","102.12","0.02","108.62","0.02","1437.5","1.2","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Br4 N2 S -","- C31 H24 Br4 N2 S -","- C62 H48 Br8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","","0.039","","","","0.044","","","","","","1.28","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223152","9.182","0.0018","9.6642","0.0019","14.466","0.003","83.296","0.004","75.723","0.004","73.399","0.004","1190.7","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0635","0.044","","","0.1018","0.1098","","","","","","1.028","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223153","8.1907","0.0013","9.497","0.0015","15.261","0.002","90.457","0.003","96.073","0.004","98.192","0.003","1168.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0601","0.0428","","","0.1066","0.1136","","","","","","1.051","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223154","7.7119","0.001","10.6252","0.0015","15.117","0.002","98.268","0.003","99.55","0.003","101.403","0.003","1177.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0827","0.0524","","","0.1312","0.1446","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223155","9.488","0.004","10.506","0.006","13.679","0.008","88.73","0.04","76.54","0.04","78.5","0.04","1299","1.2","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Br4 N2 S -","- C27 H22 Br4 N2 S -","- C54 H44 Br8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","","0.048","","","","0.051","","","","","","1.45","","","","has coordinates","173768","2020-10-21","18:00:00",""
"7223161","17.7929","0.0011","17.7444","0.0012","28.2638","0.0018","90","","97.522","0.001","90","","8846.8","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 Br3 Hg1.5 N4 O5.5 S1.5 -","- C38 H32 Br3 Hg1.5 N4 O4 -","- C304 H256 Br24 Hg12 N32 O32 -","8","2","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0722","0.0486","","","0.1105","0.1161","","","","","","1.034","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223162","9.108","0.002","15.513","0.003","30.601","0.007","90","","90.472","0.003","90","","4323.5","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 Hg2 I4 N5 O4 -","- C40 H35 Hg2 I4 N5 O4 -","- C160 H140 Hg8 I16 N20 O16 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0473","0.0422","","","0.0976","0.0996","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223163","8.9084","0.0019","14.54","0.003","15.73","0.003","71.47","0.003","89.982","0.003","77.678","0.003","1882.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14.5 H15.5 Hg I2 N2 O2.25 S0.25 -","- C14.5 H15.5 Hg I2 N2 O2.25 S0.25 -","- C58 H62 Hg4 I8 N8 O9 S -","4","2","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0508","0.047","","","0.1257","0.1297","","","","","","1.016","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223164","12.5139","0.0008","26.9719","0.0017","16.546","0.0011","90","","92.418","0.001","90","","5579.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H43 Hg2 I4 N6 O5.5 S1.5 -","- C44 H34 Hg2 I4 N6 O4 -","- C176 H136 Hg8 I16 N24 O16 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0695","0.0607","","","0.1696","0.1747","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223165","14.9034","0.0012","14.5799","0.0012","15.1148","0.0012","90","","117.776","0.001","90","","2905.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Ag F6 N4 O4 P -","- C28 H28 Ag F6 N4 O4 P -","- C112 H112 Ag4 F24 N16 O16 P4 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0356","0.0325","","","0.0866","0.0894","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223166","29.6014","0.0016","29.6014","0.0016","22.5","0.003","90","","90","","120","","17074","3","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C38 H38 Ag F6 N4 O5 P S -","- C36 H32 Ag F5.98 N4 O4 P0.996667 -","- C648 H576 Ag18 F107.64 N72 O72 P17.94 -","18","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.1483","0.1147","","","0.2926","0.3146","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223167","12.7163","0.0019","14.533","0.002","14.628","0.002","62.589","0.002","83.154","0.002","74.119","0.002","2308.2","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H45 Ag F6 N6 O7.5 P S -","- C46 H40 Ag F6 N6 O7.5 P S -","- C92 H80 Ag2 F12 N12 O15 P2 S2 -","2","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0765","0.0548","","","0.1317","0.1485","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223168","16.7572","0.0003","12.434","0.0002","19.4838","0.0003","90","","91.3502","0.0015","90","","4058.5","0.12","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ce(hfac)3(BrPyDTDA)2]","","","- C27 H9 Br2 Ce F18 N6 O6 S4 -","- C27 H9 Br2 Ce F18 N6 O6 S4 -","- C108 H36 Br8 Ce4 F72 N24 O24 S16 -","4","1","","Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction","CrystEngComm","2015","17","41","7816","","10.1039/C5CE01680K","","","1.54184","CuKα","","0.0644","0.058","","","0.1445","0.1486","","","","","","1.071","","","","has coordinates","170196","2020-10-21","18:00:00",""
"7223169","36.8971","0.0005","30.3093","0.0004","17.87564","0.00019","90","","90","","90","","19990.8","0.4","150","2","150","2","","","","","","","","10","F d d 2","F 2 -2d","43","[Ce(hfac)3(BrPyDTDA)2]*0.5{SbPh3Cl2}","","","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C576 H264 Br32 Ce16 Cl16 F288 N96 O96 S64 Sb8 -","16","1","","Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction","CrystEngComm","2015","17","41","7816","","10.1039/C5CE01680K","","","0.71073","MoKα","","0.0599","0.0481","","","0.1189","0.1275","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223175","12.843","0.0006","14.7287","0.0005","15.9263","0.0004","90.59","0.002","103.901","0.003","90.697","0.003","2923.91","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N4 O14 Zn2 -","- C68 H56 N4 O14 Zn2 -","- C136 H112 N8 O28 Zn4 -","2","1","","Shi, Yi-Xiang; Hu, Fei-Long; Zhang, Wen-Hua; Lang, Jian-Ping","A unique Zn(ii)-based MOF fluorescent probe for the dual detection of nitroaromatics and ketones in water","CrystEngComm","2015","17","48","9404","","10.1039/C5CE02000J","","","1.54178","CuKα","","0.0913","0.083","","","0.2321","0.2397","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223176","12.918","0.0005","14.8371","0.0006","15.9001","0.0005","91.322","0.003","104.162","0.003","90.048","0.003","2954.03","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 Cd2 N4 O14 -","- C68 H56 Cd2 N4 O14 -","- C136 H112 Cd4 N8 O28 -","2","1","","Shi, Yi-Xiang; Hu, Fei-Long; Zhang, Wen-Hua; Lang, Jian-Ping","A unique Zn(ii)-based MOF fluorescent probe for the dual detection of nitroaromatics and ketones in water","CrystEngComm","2015","17","48","9404","","10.1039/C5CE02000J","","","0.71073","MoKα","","0.0512","0.0327","","","0.0647","0.0706","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223184","5.1765","0.001","15.228","0.003","21.041","0.004","90","","93.91","0.03","90","","1654.8","0.6","110.15","","110.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-BA cocrystal","","- C17 H14 F3 N O5 -","- C17 H14 F3 N O5 -","- C68 H56 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.072","0.0651","","","0.15","0.1552","","","","","","1.179","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223185","17.345","0.007","5.1415","0.0017","19.447","0.007","90","","112.506","0.005","90","","1602.2","1","110","","110","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Triflusal-Isonicotinamide cocrystal","","- C16 H13 F3 N2 O5 -","- C16 H13 F3 N2 O5 -","- C64 H52 F12 N8 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71075","MoKα","","0.0686","0.0559","","","0.1566","0.1782","","","","","","1.108","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223186","5.5536","0.0011","11.95","0.002","12.2","0.002","96.01","0.03","94.85","0.03","95.99","0.03","797.1","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","Triflusal-2-Picoliniamide cocrystal","","- C16 H13 F3 N2 O5 -","- C16 H13 F3 N2 O5 -","- C32 H26 F6 N4 O10 -","2","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.0456","0.0442","","","0.1184","0.1198","","","","","","1.086","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223187","18.729","0.006","9.921","0.003","8.067","0.003","90","","97.605","0.004","90","","1485.7","0.9","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-Propionamide cocrystal","","- C13 H14 F3 N O5 -","- C13 H14 F3 N O5 -","- C52 H56 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71075","MoKα","","0.0453","0.0414","","","0.1118","0.1157","","","","","","1.067","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223188","14.601","0.003","10.92","0.002","15.342","0.003","90","","102.49","0.03","90","","2388.3","0.9","110.15","","110.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triflusal-urea cocrystal","","- C21 H18 F6 N2 O9 -","- C21 H18 F6 N2 O9 -","- C84 H72 F24 N8 O36 -","4","0.5","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.04","0.0396","","","0.1075","0.1079","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223189","19.8545","0.0008","5.06409","0.00017","21.853","0.0011","90","","114.362","0.006","90","","2001.56","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-valpromide cocrystal","","- C18 H24 F3 N O5 -","- C18 H24 F3 N O5 -","- C72 H96 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","x-ray","0.71073","MoKα","","0.0557","0.0456","","","0.1106","0.1167","","","","","","1.042","","","","has coordinates,has disorder","301865","2025-08-22","16:16:48",""
"7223190","5.4112","0.0003","14.2338","0.0007","8.9052","0.0004","90","","95.922","0.005","90","","682.24","0.06","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Mg2 N2 O14 P2 -","- C4 H16 Mg2 N2 O14 P2 -","- C8 H32 Mg4 N4 O28 P4 -","2","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","","0.71073","MoKα","","0.0426","0.034","","","0.086","0.0924","","","","","","1.067","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223191","5.4134","0.0002","15.259","0.0006","9.0176","0.0004","90","","94.704","0.004","90","","742.37","0.05","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H18 Mg2 N2 O14 P2 -","- C5 H6 Mg2 N2 O14 P2 -","- C10 H12 Mg4 N4 O28 P4 -","2","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","","0.71073","MoKα","","0.0539","0.0464","","","0.1188","0.1248","","","","","","1.113","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223192","7.6627","0.0003","7.8432","0.0003","9.7695","0.0003","72.092","0.003","83.275","0.003","84.998","0.003","554.04","0.04","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Mg4 N2 O22 P2 -","- C10 H20 Mg4 N2 O22 P2 -","- C10 H20 Mg4 N2 O22 P2 -","1","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0419","0.0416","","","0.1107","0.1112","","","","","","1.114","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223193","8.23203","0.00011","16.34232","0.00015","13.28134","0.00015","90","","90","","90","","1786.74","0.04","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Mg2 N2 O16 P2 -","- C8 H18 Mg2 N2 O16 P2 -","- C32 H72 Mg8 N8 O64 P8 -","4","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0561","0.0539","","","0.1483","0.1513","","","","","","1.103","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223194","9.3755","0.0002","7.4746","0.0001","15.431","0.0002","90","","100.119","0.002","90","","1064.55","0.03","292.1","0.3","292.1","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Mg N O9 P -","- C6 H12 Mg N O9 P -","- C24 H48 Mg4 N4 O36 P4 -","4","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0452","0.042","","","0.1123","0.1159","","","","","","1.116","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223195","15.1014","0.0002","10.96857","0.00017","22.3338","0.0004","90","","103.099","0.0015","90","","3603.12","0.1","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 Mg4 N3 O30 P3 -","- C18 H34 Mg4 N3 O30 P3 -","- C72 H136 Mg16 N12 O120 P12 -","4","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0514","0.0486","","","0.1333","0.1366","","","","","","1.032","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223196","7.7738","0.0003","9.484","0.0003","11.9243","0.0005","78.102","0.003","78.574","0.004","86.183","0.003","842.9","0.06","293.15","","293.15","","","","","","","","","6","P 1","P 1","1","","","","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","1","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1243","0.1257","","","","","","1.065","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223197","9.3254","0.0002","9.428","0.0003","14.306","0.0004","96.449","0.002","103.879","0.002","104.35","0.002","1163.07","0.06","292.8","0.4","292.8","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C10 H29 Mg2 N3 O19 P2 -","- C10 H27 Mg2 N3 O19 P2 -","- C20 H54 Mg4 N6 O38 P4 -","2","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0487","0.0462","","","0.1285","0.1327","","","","","","1.063","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223198","13.805","0.003","23.501","0.006","7.6773","0.0018","90","","90","","90","","2490.8","1","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C35 H24 S -","- C35 H24 S -","- C140 H96 S4 -","4","1","","Ye, Junwei; Huang, Xueming; Gao, Yuan; Wang, Xiaoxiao; Zheng, Ting; Lin, Yuan; Liu, Xin; Ning, Guiling","Morphology-controlled assembly and enhanced emission of fluorescence in organic nanospheres and microrods based on 1,2-diphenyl-4-(4-dibenzothienyl)phenyl-1,3-cyclopentadiene","CrystEngComm","2015","17","48","9311","","10.1039/C5CE01849H","","","0.71073","MoKα","","0.0916","0.0527","","","0.1051","0.1178","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:16:48",""
"7223772","11.243","0.002","18.664","0.004","21.085","0.004","90","","97.99","0.03","90","","4381.5","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Ag5 N15 -","- C36 H56 Ag5 N15 -","- C144 H224 Ag20 N60 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0287","0.0259","","","0.0619","0.0635","","","","","","1.008","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223773","11.365","0.005","9.329","0.004","20.985","0.01","90","","97.4147","0.0015","90","","2206.3","1.7","153","2","153","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C36 H56 Ag5 N15 -","- C36 H56 Ag5 N15 -","- C72 H112 Ag10 N30 -","2","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0392","0.0352","","","0.087","0.0905","","","","","","1.079","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223774","9.8861","0.0011","14.398","0.0015","15.8646","0.0017","91.955","0.001","73.911","0.001","74.304","0.001","2074.2","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H59 Ag4 N12 O0 -","- C35 H59 Ag4 N12 -","- C70 H118 Ag8 N24 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0317","0.0269","","","0.0629","0.0664","","","","","","1.028","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223775","10.37","0.0004","14.3641","0.0005","15.3164","0.0006","89.577","0.001","74.198","0.001","69.63","0.001","2048.28","0.13","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 Ag4 N12 O0 -","- C32 H56 Ag4 N12 -","- C64 H112 Ag8 N24 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.037","0.0309","","","0.0747","0.0839","","","","","","1.009","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223776","25.5782","0.0015","25.6108","0.0015","11.5927","0.0007","90","0.001","90","0.001","90","0.001","7594.1","0.8","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H99 Ag7 N21 O0.5 -","- C56 H98 Ag7 N21 O0.5 -","- C224 H392 Ag28 N84 O2 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0408","0.0394","","","0.0988","0.101","","","","","","1.083","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223777","16.332","0.002","16.332","","16.332","","90","","90","","90","","4356.3","0.5","113","2","113","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C14 H20 Ag N3 O0 -","- C14 H20 Ag N3 -","- C168 H240 Ag12 N36 -","12","0.25","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0521","0.0391","","","0.1002","0.1195","","","","","","1.095","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223778","21.8059","0.0006","20.5551","0.0005","22.2812","0.0005","90","","115.892","0.001","90","","8984.4","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H122 Ag8 N24 O -","- C71 H122 Ag8 N24 O -","- C284 H488 Ag32 N96 O4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.1281","0.0648","","","0.1768","0.2426","","","","","","1.073","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223779","19.8319","0.0012","19.8319","0.0012","15.2208","0.0019","90","","90","","120","","5184.4","0.8","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","EuTMBD-AgCl-H2S","","- C54 H68.43 Eu4 O27.22 S18 -","- C54 H68.4358 Eu4 O27.2179 S18 -","- C108 H136.872 Eu8 O54.4358 S36 -","2","0.333333","","He, Jun; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Functional shakeup of metal‒organic frameworks: the rise of the sidekick","CrystEngComm","2015","17","48","9254","","10.1039/C5CE01790D","","","0.71073","MoKα","","0.0805","0.055","","","0.1303","0.1415","","","","","","1.026","","","","has coordinates,has disorder","173653","2020-10-21","18:00:00",""
"7223780","14.2377","0.0004","14.2377","0.0004","21.5385","0.0012","90","","90","","90","","4366.1","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H93 Cl Mn6 O31 P8 -","- C36 H84 Cl Mn6 O30 P8 -","- C72 H168 Cl2 Mn12 O60 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0661","0.0589","","","0.2101","0.2171","","","","","","1.071","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7223781","14.2649","0.0004","14.2649","0.0004","21.6192","0.0013","90","","90","","90","","4399.2","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H101 Br Mn6 O35 P8 -","- C36 H84 Br Mn6 O35 P8 -","- C72 H168 Br2 Mn12 O70 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0778","0.0639","","","0.2","0.2164","","","","","","1.066","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7223782","15.3067","0.0001","16.8196","0.0005","24.5506","0.0009","87.508","0.007","80.791","0.006","70.565","0.005","5883.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H121 Mn13 O57 P11 -","- C51 H121 Mn13 O57 P11 -","- C102 H242 Mn26 O114 P22 -","2","1","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0788","0.0587","","","0.1732","0.1975","","","","","","1.063","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7223783","17.496","0.008","20.314","0.009","18.017","0.008","90","","96.771","0.007","90","","6359","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H150 K2 Mn15 O64 P10 -","- C72 H122 K2 Mn15 O64 P10 -","- C144 H244 K4 Mn30 O128 P20 -","2","0.5","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0931","0.0776","","","0.2187","0.2436","","","","","","1.015","","","","has coordinates,has disorder","194615","2020-10-21","18:00:00",""
"7223784","5.239","0.002","5.239","0.002","11.567","0.005","90","","90","","90","","317.5","0.2","296","2","296","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- Bi0.55 Mo O4 -","- Bi0.549 Mo O4 -","- Bi2.196 Mo4 O16 -","4","","","Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong","Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal","CrystEngComm","2015","17","45","8746","","10.1039/C5CE01765C","","","0.71073","MoKα","","0.0195","0.018","","","0.0474","0.0486","","","","","","1.102","","","","has coordinates","173655","2020-10-21","18:00:00",""
"7223785","7.715","0.0001","11.5101","0.0002","11.1237","0.0002","90","","103.364","0.001","90","","961.04","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Bi2 Mo3 O12 -","- Bi2 Mo3 O12 -","- Bi8 Mo12 O48 -","4","1","","Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong","Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal","CrystEngComm","2015","17","45","8746","","10.1039/C5CE01765C","","","0.71073","MoKα","","0.0247","0.0237","","","0.0587","0.0595","","","","","","1.149","","","","has coordinates","173655","2020-10-21","18:00:00",""
"7223786","18.041","0.002","10.0013","0.0013","7.0529","0.0009","90","","111.642","0.005","90","","1182.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(acridine)-cadmium)","","- C13 H9 Cd Cl2 N -","- C13 H9 Cd Cl2 N -","- C52 H36 Cd4 Cl8 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0939","0.0822","","","0.2544","0.2627","","","","","","1.108","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223787","18.1586","0.0008","10.3322","0.0005","7.2771","0.0004","90","","110.45","0.03","90","","1279.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-bromo)-(acridine)-cadmium)","","- C13 H9 Br2 Cd N -","- C13 H9 Br2 Cd N -","- C52 H36 Br8 Cd4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0534","0.0293","","","0.0713","0.0804","","","","","","1.07","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223788","17.7013","0.0008","10.792","0.0005","7.6053","0.0003","90","","107.355","0.002","90","","1386.72","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-iodido)-(acridine)-cadmium)","","- C13 H9 Cd I2 N -","- C13 H9 Cd I2 N -","- C52 H36 Cd4 I8 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0379","0.0276","","","0.0642","0.0683","","","","","","1.074","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223789","16.6766","0.0009","10.0104","0.0005","7.0588","0.0003","90","","96.055","0.002","90","","1171.82","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(phenazine)-cadmium)","","- C12 H8 Cd Cl2 N2 -","- C12 H8 Cd Cl2 N2 -","- C48 H32 Cd4 Cl8 N8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0368","0.0295","","","0.0686","0.0715","","","","","","1.071","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223790","17.8278","0.0006","10.0406","0.0004","7.1913","0.0002","90","","111.792","0.002","90","","1195.27","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(acridine)-mercury)","","- C13 H9 Cl2 Hg N -","- C13 H9 Cl2 Hg N -","- C52 H36 Cl8 Hg4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0869","0.0745","","","0.1979","0.2099","","","","","","1.02","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223791","17.9548","0.0013","10.3152","0.0008","7.4205","0.0005","90","","110.814","0.002","90","","1284.64","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-bromo)-(acridine)-mercury)","","- C13 H9 Br2 Hg N -","- C13 H9 Br2 Hg N -","- C52 H36 Br8 Hg4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0387","0.025","","","0.0524","0.0561","","","","","","0.983","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223792","7.7038","0.0002","9.0194","0.0002","9.5803","0.0003","64.986","0.002","80.681","0.002","82.477","0.002","593.82","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(m2-chloro)-(phenazine)-mercury)","","- C12 H8 Cl2 Hg N2 -","- C12 H8 Cl2 Hg N2 -","- C24 H16 Cl4 Hg2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.7107","MoKα","","0.0441","0.0296","","","0.0571","0.0587","","","","","","0.943","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7223793","8.0543","0.0004","9.3336","0.0005","9.7594","0.0005","64.112","0.002","75.888","0.002","83.03","0.002","640.03","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-(bis(m2-bromo)-(phenazine)-mercury)","catena-(bis(m2-bromo)-(phenazine)-mercury)","","- C12 H8 Br2 Hg N2 -","- C12 H8 Br2 Hg N2 -","- C24 H16 Br4 Hg2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0923","0.0787","","","0.203","0.2177","","","","","","1.063","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7223794","4.0824","0.0002","9.6723","0.0005","11.1027","0.0005","71.406","0.002","80.156","0.002","78.525","0.002","404.48","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(2-bromo)-(2-phenazine)-mercury)","","- C12 H8 Br4 Hg2 N2 -","- C12 H8 Br4 Hg2 N2 -","- C12 H8 Br4 Hg2 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0272","0.0263","","","0.0691","0.07","","","","","","1.092","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223795","7.3885","0.0004","7.6432","0.0005","9.6655","0.0007","68.076","0.002","87.897","0.002","88.821","0.002","506","0.06","569","2","569","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(2-chloro)-(quinoline)-mercury)","","- C9 H7 Cl2 Hg N -","- C9 H7 Cl2 Hg N -","- C18 H14 Cl4 Hg2 N2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.048","0.0369","","","0.0794","0.087","","","","","","1.059","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223796","7.6214","0.001","7.6716","0.0011","10.0092","0.0014","112.155","0.003","91.133","0.003","91.574","0.003","541.52","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-(bis(2-bromo)-(quinoline)-mercury)","catena-(bis(2-bromo)-(quinoline)-mercury)","","- C9 H7 Br2 Hg N -","- C9 H7 Br2 Hg N -","- C18 H14 Br4 Hg2 N2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0512","0.0402","","","0.0943","0.1006","","","","","","1.087","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223797","8.0024","0.0005","8.7714","0.0006","9.5211","0.0006","86.141","0.002","67.909","0.002","71.203","0.002","585.11","0.07","569","2","569","2","","","","","","","","5","P -1","-P 1","2","","bis(2-Iodo)-diiodo-bis(quinoline)-di-mercury","","- C18 H14 Hg2 I4 N2 -","- C18 H14 Hg2 I4 N2 -","- C18 H14 Hg2 I4 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0629","0.0553","","","0.1415","0.1483","","","","","","1.059","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223798","8.1694","0.0004","9.1306","0.0004","9.9609","0.0005","84.347","0.002","70.877","0.002","77.262","0.002","684.44","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(2-Iodo)-diiodo-bis(phenazine)-di-mercury","","- C26 H18 Hg2 I4 N2 -","- C26 H18 Hg2 I4 N2 -","- C26 H18 Hg2 I4 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0257","0.0256","","","0.0677","0.0678","","","","","","1.207","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7235419","9.8043","0.001","9.8043","0.001","7.4487","0.0011","90","","90","","90","","716","0.15","120","2","120","2","","","","","","","","7","P 4/n m m :2","-P 4a 2a","129","","","","- Cl Cu4 F4 H4 N O12 P4 -","- Cl Cu4 F4 H4 N O12 P4 -","- Cl2 Cu8 F8 H8 N2 O24 P8 -","2","0.125","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.2178","0.1203","","","0.1817","0.2272","","","","","","1.183","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235420","13.9096","0.0006","13.6136","0.0005","19.723","0.001","90","","90","","90","","3734.7","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C4 H11 Cl Cu4 F4 N2 O12 P4 -","- C4 H11 Cl Cu4 F4 N2 O12.13 P4 -","- C32 H88 Cl8 Cu32 F32 N16 O97.04 P32 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.135","0.0874","","","0.1577","0.1816","","","","","","1.078","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235421","13.722","0.0006","13.7879","0.0006","24.8892","0.0009","90","","90","","90","","4709","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C6 H16 Cl0.25 Cu4 F4 N2 O16.88 P5 -","- C6 H16 Cl0.191 Cu4 F4 N2 O16.923 P5.009 -","- C48 H128 Cl1.528 Cu32 F32 N16 O135.384 P40.072 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.1477","0.0912","","","0.1514","0.1721","","","","","","1.09","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235422","10.6406","0.0005","15.5529","0.0008","16.8867","0.0012","66.629","0.003","87.281","0.004","81.087","0.003","2534.1","0.3","123","2","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C50.75 H33.5 Ag2 B2 Cl5.5 F8 N8 -","- C50.75 H33.5 Ag2 B2 Cl5.5 F8 N8 -","- C101.5 H67 Ag4 B4 Cl11 F16 N16 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0723","0.0476","","","0.1022","0.114","","","","","","1.023","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235423","10.8963","0.0002","13.6018","0.0004","13.9028","0.0004","109.104","0.003","94.569","0.002","109.486","0.002","1793.81","0.1","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 Ag2 Cl2 F12 N7 P2 -","- C26 H29 Ag2 Cl2 F12 N7 P2 -","- C52 H58 Ag4 Cl4 F24 N14 P4 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 × 2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0377","0.0325","","","0.0859","0.0902","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235424","17.1919","0.0004","17.6525","0.0005","28.3109","0.0008","90","","90","","90","","8591.8","0.4","293","2","296.15","","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C318 H264 Ag16 Cl8 F48 N72 O48 S16 -","4","0.25","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0497","0.0343","","","0.0893","0.0995","","","","","","1.052","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235425","8.0993","0.0004","9.7117","0.0004","11.2515","0.0005","87.315","0.003","86.505","0.003","68.644","0.002","822.43","0.07","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Ag Cl N4 O4 -","- C17 H14 Ag Cl N4 O4 -","- C34 H28 Ag2 Cl2 N8 O8 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 × 2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0504","0.0358","","","0.0857","0.0923","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235426","8.568","0.0003","26.1905","0.0008","8.6188","0.0002","90","","95.015","0.002","90","","1926.66","0.1","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H14 Ag Cl F6 N4 P -","- C17.5 H14 Ag Cl F6 N4 P -","- C70 H56 Ag4 Cl4 F24 N16 P4 -","4","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0507","0.0381","","","0.0907","0.0977","","","","","","1.078","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235427","23.76695","0.00015","13.12396","0.00009","25.0971","0.00017","90","","102.564","0.0007","90","","7640.75","0.09","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C70 H62 Ag4 B4 Cl4 F16 N16 O -","- C70 H62 Ag4 B4 Cl4 F16 N16 O -","- C280 H248 Ag16 B16 Cl16 F64 N64 O4 -","4","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","1.54184","CuKα","","0.0691","0.0586","","","0.1558","0.1671","","","","","","1.042","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235428","7.7294","0.00014","13.2469","0.0002","15.3754","0.0003","78.217","0.0015","81.8669","0.0014","77.2006","0.0015","1495.17","0.05","120.02","0.1","120.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Ag B F4 N8 -","- C34 H28 Ag B F4 N8 -","- C68 H56 Ag2 B2 F8 N16 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 × 2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0336","0.028","","","0.0706","0.0742","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235429","10.113","0.0006","17.5762","0.001","15.6751","0.001","90","","102.831","0.006","90","","2716.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrabutyl ammonium salt of Naphthyl oxime","","- C27 H45 F N2 O2 -","- C27 H45 F N2 O2 -","- C108 H180 F4 N8 O8 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.112","0.0686","","","0.1729","0.2015","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235430","16.2317","0.0007","9.6547","0.0004","20.2299","0.0008","90","","99.931","0.003","90","","3122.8","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2 4 dihydroxy aromatic aldoxime","","- C30 H49 N3 O6 -","- C30 H49 N3 O6 -","- C120 H196 N12 O24 -","4","0.5","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.1135","0.0736","","","0.1531","0.1636","","","","","","1.048","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235431","9.5189","0.0007","9.4321","0.0007","18.7965","0.0014","90","","101.203","0.004","90","","1655.5","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H50 F N3 O6 -","- C30 H50 F N3 O6 -","- C60 H100 F2 N6 O12 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.056","0.0383","","","0.0919","0.1024","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235875","13.464","0.0006","13.6873","0.0006","17.0771","0.0006","107.657","0.004","95.015","0.003","95.481","0.003","2962.5","0.2","170","2","170.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H67 Cl3 N6 O8 -","- C65 H67 Cl3 N6 O8 -","- C130 H134 Cl6 N12 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","","0.71073","MoKα","","0.1178","0.0794","","","0.2113","0.2483","","","","","","1.026","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235876","13.5142","0.0006","14.6744","0.0007","17.3471","0.0007","95.199","0.004","94.142","0.003","110.327","0.004","3192.8","0.3","170","2","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H60 Cl9 D3 N4 O8 -","- C63 H62.998 Cl8.994 N4 O8 -","- C126 H125.996 Cl17.988 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.1888","0.0995","","","0.2709","0.3386","","","","","","1.043","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235877","13.4616","0.0002","14.1115","0.0003","15.8347","0.0004","109.783","0.002","93.681","0.0016","99.7937","0.0016","2765.08","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H72 N4 O11 -","- C63 H72 N4 O11 -","- C126 H144 N8 O22 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","1.54184","CuKα","","0.0593","0.0526","","","0.1444","0.1524","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235878","13.1236","0.0004","32.8276","0.0008","13.3088","0.0004","90","","92.373","0.003","90","","5728.7","0.3","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H67 Cl3 N4 O9 -","- C63 H67 Cl3 N4 O9 -","- C252 H268 Cl12 N16 O36 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","","0.71073","MoKα","","0.1307","0.0815","","","0.2186","0.2609","","","","","","1.035","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7235879","13.0454","0.0003","13.7948","0.0005","20.6219","0.0007","88.043","0.003","82.996","0.002","84.693","0.002","3666.6","0.2","170","2","170.15","0.02","","","","","","","","8","P -1","-P 1","2","","","","- C70 H60 Cl3 D F6 I3 N4 O8 -","- C70 H61 Cl3 F6 I3 N4 O8 -","- C140 H122 Cl6 F12 I6 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.0532","0.0397","","","0.0877","0.0935","","","","","","1.027","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235880","11.07141","0.00013","44.297","0.0007","15.7761","0.0004","90","","90","","90","","7737.1","0.2","170","2","170.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C37 H31 Cl3 F4 I2 N2 O4 -","- C37 H31 Cl3 F4 I2 N2 O4 -","- C296 H248 Cl24 F32 I16 N16 O32 -","8","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.0698","0.0485","","","0.0973","0.1055","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235881","17.624","0.0011","11.8156","0.0007","26.146","0.0013","90","","116.317","0.003","90","","4880.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H45 Cd2 N9 O13 -","- C50 H45 Cd2 N9 O13 -","- C200 H180 Cd8 N36 O52 -","4","1","","Xu, Guo-Wang; Wu, Ya-Pan; Wang, Hai-Bing; Wang, Ye-Nan; Li, Dong-Sheng; Liu, Yun-Ling","Unique topological motifs in two Cd(ii)-coordination polymers: mutual-embedded 2D bilayers, 3D polythreaded structures, self-penetrated networks and 2D →2D interpenetrated homochiral bilayers","CrystEngComm","2015","17","47","9055","","10.1039/C5CE01648G","","","0.71073","MoKα","","0.0423","0.0345","","","0.0872","0.0919","","","","","","1.02","","","","has coordinates","233422","2020-10-21","18:00:00",""
"7235882","21.234","0.009","15.744","0.006","16.213","0.007","90","","113.443","0.004","90","","4973","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Cd N2 O9 -","- C23 H28 Cd N2 O9 -","- C184 H224 Cd8 N16 O72 -","8","1","","Xu, Guo-Wang; Wu, Ya-Pan; Wang, Hai-Bing; Wang, Ye-Nan; Li, Dong-Sheng; Liu, Yun-Ling","Unique topological motifs in two Cd(ii)-coordination polymers: mutual-embedded 2D bilayers, 3D polythreaded structures, self-penetrated networks and 2D →2D interpenetrated homochiral bilayers","CrystEngComm","2015","17","47","9055","","10.1039/C5CE01648G","","","0.71073","MoKα","","0.1457","0.0867","","","0.2204","0.2975","","","","","","1.065","","","","has coordinates","233422","2020-10-21","18:00:00",""
"7251676","5.7714","0.0017","7.345","0.002","9.348","0.003","97.665","0.011","106.034","0.009","92.663","0.009","376.01","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Cl N3 O2 S -","- C6 H6 Cl N3 O2 S -","- C12 H12 Cl2 N6 O4 S2 -","2","1","","Kim, Eunsil; Hyun, Ji Young; Song, Ji Ho; Lim, Hwan Jung; Park, Seong Jun","<i>N</i>-Cyano sulfoximine-mediated thiazole ligation with <i>N</i>-terminal cysteine under mild aqueous conditions.","RSC medicinal chemistry","2025","17","2","1031","1036","10.1039/d5md00948k","","","0.71073","MoKα","","0.0572","0.0546","","","0.1835","0.1891","","","","","","1.076","","","","has coordinates","304637","2026-02-26","03:16:56",""
"7251677","9.0926","0.0013","7.0943","0.0009","12.7455","0.0018","90","","93.758","0.005","90","","820.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N3 O S -","- C7 H7 N3 O S -","- C28 H28 N12 O4 S4 -","4","1","","Kim, Eunsil; Hyun, Ji Young; Song, Ji Ho; Lim, Hwan Jung; Park, Seong Jun","<i>N</i>-Cyano sulfoximine-mediated thiazole ligation with <i>N</i>-terminal cysteine under mild aqueous conditions.","RSC medicinal chemistry","2025","17","2","1031","1036","10.1039/d5md00948k","","","0.71073","MoKα","","0.0395","0.0321","","","0.0809","0.0854","","","","","","1.046","","","","has coordinates","304637","2026-02-26","03:16:56",""
"9004135","9.587","","17.832","","5.315","","90","","103.47","","90","","883.633","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Ferroglaucophane","- Al1.902 Ca0.15 Fe2.277 Mg1.031 Na1.72 O24 Si7.92 -","- Al1.902 Ca0.15 Fe2.277 Mg1.031 Na1.72 O24 Si7.92 -","- Al3.804 Ca0.3 Fe4.554 Mg2.062 Na3.44 O48 Si15.84 -","2","0.25","","Hawthorne, F. C.","The crystal chemistry of the amphiboles. X. Refinement of the crystal structure of ferroglaucophane and an ideal polyhedral model for clinoamphiboles","The Canadian Mineralogist","1979","17","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004136","12.158","","12.158","","7.573","","90","","90","","90","","1119.42","","","","","","","","","","","","","8","I 4/m","-I 4","87","","","Scapolite","- C0.68 Al3.28 Ca2.92 Cl0.03 Na0.92 O26.24 S0.29 Si2.36 -","- C0.68 Al3.28 Ca2.92 Cl0.03 Na0.92 O26.24 S0.29 Si2.36 -","- C1.36 Al6.56 Ca5.84 Cl0.06 Na1.84 O52.48 S0.58 Si4.72 -","2","0.125","","Peterson, R. C.; Donnay, G.; Le Page, Y.","Sulfate disorder in scapolite","The Canadian Mineralogist","1979","17","","53","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004137","9.174","","5.449","","5.138","","90","","90","","90","","256.844","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","Brookite","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 25 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9004138","9.175","","5.459","","5.149","","90","","90","","90","","257.894","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","Brookite","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 280 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004139","9.191","","5.463","","5.157","","90","","90","","90","","258.935","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","Brookite","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 425 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004140","9.211","","5.472","","5.171","","90","","90","","90","","260.632","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","Brookite","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperatures Sample at 625 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004141","4.593","","4.593","","2.959","","90","","90","","90","","62.422","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Rutile","- O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structure of rutile and brookite at high temperature Sample at 25 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004142","4.603","","4.603","","2.966","","90","","90","","90","","62.842","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Rutile","- O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structure of rutile and brookite at high temperature Sample at 300 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004143","4.616","","4.616","","2.977","","90","","90","","90","","63.432","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Rutile","- O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structure of rutile and brookite at high temperature Sample at 600 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004144","4.623","","4.623","","2.986","","90","","90","","90","","63.817","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Rutile","- O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structure of rutile and brookite at high temperature Sample at 900 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004145","9.454","","10.692","","5.444","","90","","105.5","","90","","530.277","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","Morinite","- Al2 Ca2 F4 H5 Na O11 P2 -","- Al2 Ca2 F4 H5 Na O11 P2 -","- Al4 Ca4 F8 H10 Na2 O22 P4 -","2","0.5","","Hawthorne, F. C.","The crystal structure of morinite","The Canadian Mineralogist","1979","17","","93","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004146","5.788","","5.788","","5.788","","90","","90","","90","","193.903","","","","","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","Platarsite","- As2 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S2 -","- As2 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S2 -","- As8 Ir0.2 Os0.04 Pt1.4 Rh1.24 Ru1.16 S8 -","4","0.166667","","Szymanski, J. T.","The crystal structure of platarsite, Pt(As,S)2, and a comparison with sperrylite, PtAs2","The Canadian Mineralogist","1979","17","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004147","13.299","","4.07","","20.209","","90","","103.32","","90","","1064.43","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Benjaminite","- Ag2.3 Bi6.7 Cu0.5 Pb0.4 S12 -","- Ag2.3 Bi6.7 Cu0.5 Pb0.4 S12 -","- Ag4.6 Bi13.4 Cu Pb0.8 S24 -","2","0.25","","Makovicky, E.; Mumme, W. G.","The crystal structure of benjaminite Cu.5Pb.4Ag2.3Bi6.8S12","The Canadian Mineralogist","1979","17","","607","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004148","10.323","","10.323","","10.323","","90","","90","","90","","1100.06","","","","","","","","","","","","Synthetic","3","I -4 3 m","I -4 2 3","217","","","Tetrahedrite","- Cu11.4 S12.77 Sb4 -","- Cu11.4 S12.77 Sb4 -","- Cu22.8 S25.54 Sb8 -","2","0.0416667","","Makovicky, E.; Skinner, B. J.","Studies of the sulfosalts of copper VII. Crystal structures of the exolution products Cu12.3Sb4S13 and Cu13.8Sb4S13 of unsubstituted synthetic tetrahedrite Sample: Cu-poor tetrahedrite Cu12.3Sb4S13","The Canadian Mineralogist","1979","17","","619","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004149","10.448","","10.448","","10.448","","90","","90","","90","","1140.51","","","","","","","","","","","","Synthetic","3","I -4 3 m","I -4 2 3","217","","","Tetrahedrite","- Cu10.02 S12.88 Sb4 -","- Cu10.02 S12.88 Sb4 -","- Cu20.04 S25.76 Sb8 -","2","0.0416667","","Makovicky, E.; Skinner, B. J.","Studies of the sulfosalts of copper VII. Crystal structures of the exolution products Cu12.3Sb4S13 and Cu13.8Sb4S13 of unsubstituted synthetic tetrahedrite Sample: Cu-rich tetrahedrite Cu13.8Sb4S13","The Canadian Mineralogist","1979","17","","619","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9005697","8.939","","5.706","","15.855","","90","","94.58","","90","","806.117","","","","","","","","","","","","Vastmanland, Sweden","9","P 1 21/m 1","-P 2yb","11","","","Vastmanlandite-(Ce)","- Al1.928 Ca0.922 Ce3.078 F0.461 Fe0.514 H2 Mg1.558 O21.539 Si5 -","- Al1.928 Ca0.922 Ce3.078 F0.461 Fe0.514 H2 Mg1.558 O21.539 Si5 -","- Al3.856 Ca1.844 Ce6.156 F0.922 Fe1.028 H4 Mg3.116 O43.078 Si10 -","2","0.5","","Holtstam, D.; Kolitsch, U.; Andersson, U. B.","Vastmanlandite-(Ce) - a new lanthanide- and F-bearing sorosilicate mineral from Vastmanland, Sweden: description, crystal structure, and relation to gatelite-(Ce) Locality: Vastmanland, Sweden","European Journal of Mineralogy","2005","17","","129","141","10.1127/0935-1221/2005/0017-0129","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005698","17.738","","17.856","","7.419","","90","","116.55","","90","","2102.02","","","","","","","","","","","","Northern Ravnas silver prospect, southern Vinoren, Flesberg community,","8","C 1 2/m 1","-C 2y","12","","","Heulandite-Ba","- Al4.5 Ba1.098 Ca0.784 H37.688 K0.82 Na0.1 O46.742 Si13.5 -","- Al4.5 Ba1.098 Ca0.784 H21.484 K0.82 Na0.1 O46.742 Si13.5 -","- Al9 Ba2.196 Ca1.568 H42.968 K1.64 Na0.2 O93.484 Si27 -","2","0.25","","Larsen, A. O.; Nordrum, F. S.; Dobelin, N.; Armbruster, T.; Petersen, O. V.; Erambert, M.","Heulandite-Ba, a new zeolite species from Norway Locality: Northern Ravnas silver prospect, southern Vinoren, Flesberg community, Buskerud county, Norway (Kongsberg ore district)","European Journal of Mineralogy","2005","17","","143","153","10.1127/0935-1221/2005/0017-0143","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005699","2.845","","2.845","","7.485","","90","","90","","120","","52.467","","","","","","","","","","","","Friesach, Carinthia, Austria","3","P -3","-P 3","147","","","Rancieite","- Ca1.59 Mn0.167 O2.187 -","- Ca1.59 Mn0.16667 O2.18666 -","- Ca1.59 Mn0.16667 O2.18666 -","1","0.166667","","Ertl, A.; Pertlik, F.; Prem, M.; Post, J. E.; Kim, S. J.; Brandstatter, F.; Schuster, R.","Rancieite crystals from Friesach, Carinthia, Austria Note: Birnessite group","European Journal of Mineralogy","2005","17","","163","172","10.1127/0935-1221/2005/0017-0163","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005700","4.69","","11.7875","","20.1823","","90","","90","","90","","1115.75","","","","","","","","","","","","Gfohl unit, Lower Austria","9","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.64 B F0.021 Fe0.04 H0.81 Mg0.09 O17.979 Si2.84 Ti0.07 -","- Al6.64 B F0.021 Fe0.04 H0.81 Mg0.09 O17.979 Si2.84 Ti0.07 -","- Al26.56 B4 F0.084 Fe0.16 H3.24 Mg0.36 O71.916 Si11.36 Ti0.28 -","4","0.5","","Fuchs, Y.; Ertl, A.; Hughes, J. M.; Prowatke, S.; Brandstatter, F.; Schuster, R.","Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, and infra-red spectroscopy Sample: DUM1","European Journal of Mineralogy","2005","17","","173","183","10.1127/0935-1221/2005/0017-0173","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005701","4.6948","","11.8037","","20.2106","","90","","90","","90","","1119.99","","","","","","","","","","","","Gfohl unit, Lower Austria","9","P n m a","-P 2ac 2n","62","","","Dumortierite","- Al6.61 B F0.009 Fe0.02 H0.849 Mg0.12 O17.991 Si2.83 Ti0.09 -","- Al6.61 B F0.009 Fe0.02 H0.849 Mg0.12 O17.991 Si2.83 Ti0.09 -","- Al26.44 B4 F0.036 Fe0.08 H3.396 Mg0.48 O71.964 Si11.32 Ti0.36 -","4","0.5","","Fuchs, Y.; Ertl, A.; Hughes, J. M.; Prowatke, S.; Brandstatter, F.; Schuster, R.","Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, and infra-red spectroscopy Sample: DUM2","European Journal of Mineralogy","2005","17","","173","183","10.1127/0935-1221/2005/0017-0173","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005702","9.658","","8.834","","5.263","","90","","106.46","","90","","430.63","","","","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca2 Cr2 Mg2 Na2 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Ohashi, H.","High temperature single crystal investigation in a clinopyroxene of composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6 Sample: T = 25 C, 2-theta <= 110 Note: Sample is exactly intermediate between diopside and kosmochlor","European Journal of Mineralogy","2005","17","","297","304","10.1127/0935-1221/2005/0017-0297","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005703","9.656","","8.833","","5.262","","90","","106.528","","90","","430.259","","","","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca2 Cr2 Mg2 Na2 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Ohashi, H.","High temperature single crystal investigation in a clinopyroxene of composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6 Sample: T = 25 C, 2-theta <= 50 Note: Sample is exactly intermediate between diopside and kosmochlor Note: a cell edge corrected","European Journal of Mineralogy","2005","17","","297","304","10.1127/0935-1221/2005/0017-0297","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005704","9.666","","8.85","","5.267","","90","","106.53","","90","","431.94","","","","473.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca2 Cr2 Mg2 Na2 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Ohashi, H.","High temperature single crystal investigation in a clinopyroxene of composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6 Sample: T = 200 C, 2-theta <= 50 Note: Sample is exactly intermediate between diopside and kosmochlor","European Journal of Mineralogy","2005","17","","297","304","10.1127/0935-1221/2005/0017-0297","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005705","9.682","","8.874","","5.274","","90","","106.53","","90","","434.404","","","","673.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca2 Cr2 Mg2 Na2 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Ohashi, H.","High temperature single crystal investigation in a clinopyroxene of composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6 Sample: T = 400 C, 2-theta <= 50 Note: Sample is exactly intermediate between diopside and kosmochlor","European Journal of Mineralogy","2005","17","","297","304","10.1127/0935-1221/2005/0017-0297","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005706","9.697","","8.902","","5.282","","90","","106.54","","90","","437.09","","","","893.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca0.5 Cr0.5 Mg0.5 Na0.5 O6 Si2 -","- Ca2 Cr2 Mg2 Na2 O24 Si8 -","4","0.5","","Tribaudino, M.; Nestola, F.; Ohashi, H.","High temperature single crystal investigation in a clinopyroxene of composition (Na0.5Ca0.5)(Cr0.5Mg0.5)Si2O6 Sample: T = 620 C, 2-theta <= 50 Note: Sample is exactly intermediate between diopside and kosmochlor","European Journal of Mineralogy","2005","17","","297","304","10.1127/0935-1221/2005/0017-0297","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005707","18.2126","","18.5695","","6.5741","","90","","90","","90","","2223.35","","","","","","","","900000","","","","","7","F d d 2","F 2 -2d","43","","","Natrolite (deuterated)","- Al2 Ca0.02 D2.96 Mg0.06 Na1.92 O11.84 Si3 -","- Al2 Ca0.02 D2.96 Mg0.06 Na1.92 O11.84 Si3 -","- Al16 Ca0.16 D23.68 Mg0.48 Na15.36 O94.72 Si24 -","8","0.5","","Seryotkin, Y. V.; Bakakin, V. V.; Fursenko, B. A.; Belitsky, I. A.; Joswig, W.; Radaelli, P. G.","Structural evolution of natrolite during over-hydration: a high-pressure neutron diffraction study Note: Zeolite Sample: Khibiny massif, Kola Peninsula, Russia; P = .9 GPa","European Journal of Mineralogy","2005","17","","305","313","10.1127/0935-1221/2005/0017-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005708","18.8971","","19.3142","","6.4833","","90","","91.5835","","90","","2365.39","","","","","","","","1000000","","","","","7","F 1 d 1","","","","","Natrolite (deuterated)","- Al2 Ca0.02 D6.99 Mg0.06 Na1.92 O13.5 Si3 -","- Al2 Ca0.02 D6.99 Mg0.06 Na1.92 O13.5 Si3 -","- Al16 Ca0.16 D55.92 Mg0.48 Na15.36 O108 Si24 -","8","","","Seryotkin, Y. V.; Bakakin, V. V.; Fursenko, B. A.; Belitsky, I. A.; Joswig, W.; Radaelli, P. G.","Structural evolution of natrolite during over-hydration: a high-pressure neutron diffraction study Note: Zeolite Sample: Khibiny massif, Kola Peninsula, Russia; P = 1.0 GPa","European Journal of Mineralogy","2005","17","","305","313","10.1127/0935-1221/2005/0017-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005709","12.181","","12.807","","6.6391","","90","","112.441","","90","","957.282","","","","","","","","","","","","Volcanic complex of Erciyes, Kiranardi, Turkey","7","C 1 2/c 1","-C 2yc","15","","","Yazganite","- As3 Fe2 H4 Mg0.656 Mn0.344 Na O13 -","- As3 Fe2 H2 Mg0.656 Mn0.344 Na O13 -","- As12 Fe8 H8 Mg2.624 Mn1.376 Na4 O52 -","4","0.5","","Sarp, H.; Cerny, R.","Yazganite, NaFe3+2(Mg,Mn)(AsO4)3*H2O, a new mineral: its description and crystal structure Note: variant of the johillerite structure, alluaudite group Sample: Volcanic complex of Erciyes, 10 km south of the prefecture of Kayseri, near Hisarcik, village Kiranardi, Turkey","European Journal of Mineralogy","2005","17","","367","373","10.1127/0935-1221/2005/0017-0367","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005710","12.337","","12.337","","11.93","","90","","90","","90","","1815.77","","","","","","","","","","","","Wessels Mine, South Africa","6","I 41/a c d :2","-I 4bd 2c","142","","","Holtstamite","- Al0.994 Ca3 H4 Mn1.006 O12 Si1.95 -","- Al0.994 Ca3 H4 Mn1.006 O12 Si1.95 -","- Al7.952 Ca24 H32 Mn8.048 O96 Si15.6 -","8","0.25","","Halenius, U.; Haussermann, U.; Harryson, H.","Holtstamite, Ca3(Al,Mn3+)2(SiO4)3-x(H4O4)x, a new tetragonal hydrogarnet from Wessels Mine, South Africa","European Journal of Mineralogy","2005","17","","375","382","10.1127/0935-1221/2005/0017-0375","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005711","9.029","","5.203","","20.201","","90","","99.35","","90","","936.392","","","","","","","","","","","","Varutrask, Vasterbotten, Sweden","15","C 1 2/c 1","-C 2yc","15","","","Polylithionite","- Al1.656 Ca0.002 Cs0.02 F1.722 Fe0.018 H0.278 K0.874 Li1.758 Mg0.006 Mn0.014 Na0.029 O10.278 Rb0.073 Si3.54 Ti0.002 -","- Al1.656 Ca0.002 Cs0.02 F1.722 Fe0.018 H0.278 K0.874 Li1.758 Mg0.006 Mn0.014 Na0.029 O10.278 Rb0.073 Si3.54 Ti0.002 -","- Al6.624 Ca0.008 Cs0.08 F6.888 Fe0.072 H1.112 K3.496 Li7.032 Mg0.024 Mn0.056 Na0.116 O41.112 Rb0.292 Si14.16 Ti0.008 -","4","0.5","","Brigatti, M. F.; Caprilli, E.; Malferrari, D.; Medici, L.; Poppi, L.","Crystal structure and chemistry of trilithionite-2M2 and polylithionite-2M2 Note: sample SBT","European Journal of Mineralogy","2005","17","","475","481","10.1127/0935-1221/2005/0017-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005712","9.056","","5.216","","20.282","","90","","99.64","","90","","944.514","","","","","","","","","","","","Chedeville, France","13","C 1 2/c 1","-C 2yc","15","","","Trilithionite","- Al2.202 Ba0.002 Cr0.002 F1.54 Fe0.026 H0.46 K0.872 Li1.522 Mn0.48 Na0.073 O10.46 Si3.188 Ti0.006 -","- Al2.202 Ba0.002 Cr0.002 F1.54 Fe0.026 H0.46 K0.872 Li1.522 Mn0.48 Na0.073 O10.46 Si3.188 Ti0.006 -","- Al8.808 Ba0.008 Cr0.008 F6.16 Fe0.104 H1.84 K3.488 Li6.088 Mn1.92 Na0.292 O41.84 Si12.752 Ti0.024 -","4","0.5","","Brigatti, M. F.; Caprilli, E.; Malferrari, D.; Medici, L.; Poppi, L.","Crystal structure and chemistry of trilithionite-2M2 and polylithionite-2M2 Note: sample Lch 59a","European Journal of Mineralogy","2005","17","","475","481","10.1127/0935-1221/2005/0017-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005713","9.033","","5.21","","20.271","","90","","99.71","","90","","940.326","","","","","","","","","","","","Chedeville, France","12","C 1 2/c 1","-C 2yc","15","","","Trilithionite","- Al2.066 Ca0.002 F1.588 Fe0.008 H0.412 K0.903 Li1.572 Mn0.044 Na0.045 O10.412 Si3.292 Ti0.004 -","- Al2.066 Ca0.002 F1.588 Fe0.008 H0.412 K0.903 Li1.572 Mn0.044 Na0.045 O10.412 Si3.292 Ti0.004 -","- Al8.264 Ca0.008 F6.352 Fe0.032 H1.648 K3.612 Li6.288 Mn0.176 Na0.18 O41.648 Si13.168 Ti0.016 -","4","0.5","","Brigatti, M. F.; Caprilli, E.; Malferrari, D.; Medici, L.; Poppi, L.","Crystal structure and chemistry of trilithionite-2M2 and polylithionite-2M2 Note: sample Lch 132","European Journal of Mineralogy","2005","17","","475","481","10.1127/0935-1221/2005/0017-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005714","13.84","","20.452","","5.143","","90","","90","","90","","1455.76","","","","","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","","Carpholite","- Al3.02 H8 K0.012 Mg0.26 Mn1.74 O20 Si4 V0.98 -","- Al3.02 H8 K0.012 Mg0.26 Mn1.74 O20 Si4 V0.98 -","- Al12.08 H32 K0.048 Mg1.04 Mn6.96 O80 Si16 V3.92 -","4","0.25","","Basso, R.; Cabella, R.; Lucchetti, G.; Martinelli, A.; Palenzona, A.","Vanadiocarpholite, Mn2+V3+Al(Si2O6)(OH)4, a new mineral from the Molinello mine, northern Apennines, Italy Note: sample VrC Locality: Molinello mine, northern Apennines, Italy","European Journal of Mineralogy","2005","17","","501","507","10.1127/0935-1221/2005/0017-0501","","","","","","","","","","","","","","","","","","","","","has coordinates","303137","2025-11-01","16:23:45",""
"9005715","13.83","","20.681","","5.188","","90","","90","","90","","1483.86","","","","","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","","Vanadiocarpholite","- Al2.02 H8 K0.168 Mg0.16 Mn1.84 O20 Si4 V1.98 -","- Al2.02 H8 K0.168 Mg0.16 Mn1.84 O20 Si4 V1.98 -","- Al8.08 H32 K0.672 Mg0.64 Mn7.36 O80 Si16 V7.92 -","4","0.25","","Basso, R.; Cabella, R.; Lucchetti, G.; Martinelli, A.; Palenzona, A.","Vanadiocarpholite, Mn2+V3+Al(Si2O6)(OH)4, a new mineral from the Molinello mine, northern Apennines, Italy Note: sample VC Locality: Molinello mine, northern Apennines, Italy","European Journal of Mineralogy","2005","17","","501","507","10.1127/0935-1221/2005/0017-0501","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005716","8.0778","","8.0778","","8.0778","","90","","90","","90","","527.083","","","","","","","","","","annealed at T = 900 C for t = 132 hrs, then quenched","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: SM1(900) was annealed at T = 900 C for t = 132 hrs, then quenched","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005717","8.0812","","8.0812","","8.0812","","90","","90","","90","","527.749","","","","","","","","","","annealed at T = 600 C for t = 26 hrs, then quenched","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: SM3(600) was annealed at T = 600 C for t = 26 hrs, then quenched","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005718","8.081","","8.081","","8.081","","90","","90","","90","","527.71","","","","293.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 20 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005719","8.085","","8.085","","8.085","","90","","90","","90","","528.494","","","","373.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 100 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005720","8.092","","8.092","","8.092","","90","","90","","90","","529.868","","","","473.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 200 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005721","8.099","","8.099","","8.099","","90","","90","","90","","531.244","","","","573.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 300 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005722","8.105","","8.105","","8.105","","90","","90","","90","","532.426","","","","673.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 400 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005723","8.111","","8.111","","8.111","","90","","90","","90","","533.609","","","","773.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 500 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005724","8.119","","8.119","","8.119","","90","","90","","90","","535.19","","","","873.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 600 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005725","8.127","","8.127","","8.127","","90","","90","","90","","536.773","","","","973.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 700 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005726","8.136","","8.136","","8.136","","90","","90","","90","","538.558","","","","1073.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 800 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005727","8.144","","8.144","","8.144","","90","","90","","90","","540.149","","","","1173.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 900 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005728","8.153","","8.153","","8.153","","90","","90","","90","","541.941","","","","1273.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cu O4 -","- Al2 Cu O4 -","- Al16 Cu8 O32 -","8","0.0416667","","O'Neill H St C; James, M.; Dollase, W. A.; Redfern, S. A. T.","Temperature dependence of the cation distribution in CuAl2O4 spinel Sample: T = 1000 C","European Journal of Mineralogy","2005","17","","581","586","10.1127/0935-1221/2005/0017-0581","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005729","5.385","","9.202","","10.181","","90","","100.13","","90","","496.632","","","","","","","","","","","","Colli Albani volcano, central Italy","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.336 Ba0.035 Cr0.003 Fe0.606 K0.964 Mg2.226 Mn0.009 O12 Si2.7 Ti0.123 -","- Al1.336 Ba0.035 Cr0.003 Fe0.606 K0.964 Mg2.226 Mn0.009 O12 Si2.7 Ti0.123 -","- Al2.672 Ba0.07 Cr0.006 Fe1.212 K1.928 Mg4.452 Mn0.018 O24 Si5.4 Ti0.246 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: CC","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005730","5.318","","9.205","","10.23","","90","","100.02","","90","","493.143","","","","","","","","","","","","Colli Albani volcano, central Italy","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.403 Ba0.008 Fe0.573 K0.988 Mg1.827 Mn0.006 O12 Si2.912 Ti0.165 -","- Al1.403 Ba0.008 Fe0.573 K0.988 Mg1.827 Mn0.006 O12 Si2.912 Ti0.165 -","- Al2.806 Ba0.016 Fe1.146 K1.976 Mg3.654 Mn0.012 O24 Si5.824 Ti0.33 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: 5D","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005731","5.3231","","9.224","","10.241","","90","","100.02","","90","","495.166","","","","","","","","","","","","Colli Albani volcano, central Italy","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.596 Ba0.081 Fe0.3 K0.931 Mg2.43 Mn0.009 O12 Si2.62 Ti0.045 -","- Al1.596 Ba0.081 Fe0.3 K0.931 Mg2.43 Mn0.009 O12 Si2.62 Ti0.045 -","- Al3.192 Ba0.162 Fe0.6 K1.862 Mg4.86 Mn0.018 O24 Si5.24 Ti0.09 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: CA1","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005732","5.318","","9.203","","10.259","","90","","99.96","","90","","494.524","","","","","","","","","","","","Colli Albani volcano, central Italy","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.616 Ba0.099 Ca0.002 Cr0.003 Fe0.219 K0.938 Mg2.409 Mn0.006 O12 Si2.708 Ti0.012 -","- Al1.616 Ba0.099 Ca0.002 Cr0.003 Fe0.219 K0.938 Mg2.409 Mn0.006 O12 Si2.708 Ti0.012 -","- Al3.232 Ba0.198 Ca0.004 Cr0.006 Fe0.438 K1.876 Mg4.818 Mn0.012 O24 Si5.416 Ti0.024 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: CA2","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005733","5.3235","","9.217","","10.243","","90","","99.98","","90","","494.985","","","","","","","","","","","","Colli Albani volcano, central Italy","8","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.452 Ba0.005 Fe0.597 K0.994 Mg1.848 O12 Si2.896 Ti0.144 -","- Al1.452 Ba0.005 Fe0.597 K0.994 Mg1.848 O12 Si2.896 Ti0.144 -","- Al2.904 Ba0.01 Fe1.194 K1.988 Mg3.696 O24 Si5.792 Ti0.288 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: 6B","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005734","5.3318","","9.227","","10.244","","90","","100.005","","90","","496.305","","","","","","","","","","","","Colli Albani volcano, central Italy","9","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.287 Ba0.023 Fe0.513 K0.985 Mg2.331 Mn0.003 O12 Si2.728 Ti0.138 -","- Al1.287 Ba0.023 Fe0.513 K0.985 Mg2.331 Mn0.003 O12 Si2.728 Ti0.138 -","- Al2.574 Ba0.046 Fe1.026 K1.97 Mg4.662 Mn0.006 O24 Si5.456 Ti0.276 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: AA3","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005735","5.3288","","9.227","","10.246","","90","","99.98","","90","","496.161","","","","","","","","","","","","Colli Albani volcano, central Italy","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.337 Ba0.017 Ca0.001 Fe0.471 K0.984 Mg2.334 Mn0.003 O12 Si2.72 Ti0.135 -","- Al1.337 Ba0.017 Ca0.001 Fe0.471 K0.984 Mg2.334 Mn0.003 O12 Si2.72 Ti0.135 -","- Al2.674 Ba0.034 Ca0.002 Fe0.942 K1.968 Mg4.668 Mn0.006 O24 Si5.44 Ti0.27 -","2","0.25","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: AA4","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005736","5.334","","9.24","","20.064","","90","","95.17","","90","","984.854","","","","","","","","","","","","Colli Albani volcano, central Italy","10","C 1 2/c 1","-C 2yc","15","","","Phlogopite","- Al1.364 Ba0.023 Cr0.003 Fe1.287 K0.976 Mg1.08 Mn0.009 O12 Si2.84 Ti0.381 -","- Al1.364 Ba0.023 Cr0.003 Fe1.287 K0.976 Mg1.08 Mn0.009 O12 Si2.84 Ti0.381 -","- Al5.456 Ba0.092 Cr0.012 Fe5.148 K3.904 Mg4.32 Mn0.036 O48 Si11.36 Ti1.524 -","4","0.5","","Brigatti M F; Caprilli E; Funiciello R; Giordano G; Mottana A; Poppi L","Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: 8A","European Journal of Mineralogy","2006","17","","611","621","10.1127/0935-1221/2005/0017-0611","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005737","6.505","","6.744","","18.561","","90","","108.75","","90","","771.053","","","","","","","","","","","","Biraia deposit, Irkutsk district, Siberia, Russia","15","P 1 21/c 1","-P 2ybc","14","","","Biraite-(Ce)","- C Ca0.06 Ce F0.2 Fe0.67 La0.56 Mg0.21 Mn0.11 Na0.02 Nd0.24 O9.8 Pr0.08 Si2 Sm0.02 Ti0.01 -","- C Ca0.06 Ce F0.2 Fe0.67 La0.56 Mg0.21 Mn0.11 Na0.02 Nd0.24 O9.8 Pr0.08 Si2 Sm0.02 Ti0.01 -","- C4 Ca0.24 Ce4 F0.8 Fe2.68 La2.24 Mg0.84 Mn0.44 Na0.08 Nd0.96 O39.2 Pr0.32 Si8 Sm0.08 Ti0.04 -","4","1","","Konev, A.; Pasero, M.; Pushcharovsky, D.; Merlino, S.; Kashaev, A.; Suvorova, L.; Ushchapovskaya, Z.; Nartova, N.; Lebedeva, Y.; Chukanov, N.","Biraite-(Ce), Ce2Fe2+(CO3)(Si2O7), a new mineral from Siberia with a novel structure type","European Journal of Mineralogy","2005","17","","715","721","10.1127/0935-1221/2005/0017-0715","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005738","21.336","","3.0679","","5.8744","","90","","98.06","","90","","380.721","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Fe3.5 O5 Si0.5 -","- Fe3.5 O5 Si0.5 -","- Fe14 O20 Si2 -","4","0.5","","Van Aken, P. A.; Miehe, G.; Woodland, A. B.; Angel, R. J.","Crystal structure and cation distribution in Fe7SiO10 (""Iscorite"")","European Journal of Mineralogy","2005","17","","723","731","10.1127/0935-1221/2005/0017-0723","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005739","6.5291","","12.653","","10.952","","90","","97.18","","90","","897.679","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Mn6.95 Na2.119 O24 P6 -","- Mn6.95 Na2.119 O24 P6 -","- Mn13.9 Na4.238 O48 P12 -","2","0.5","","Yakubovich, O. V.; Massa, W.; Gavrilenko, P. G.; Dimitrova, O. V.","The crystal structure of a new synthetic member in the wyllieite group: Na1.265Mn2+2.690Mn3+0.785(PO4)3 Note: Uiso's for Mn2 and Mn3 corrected by authors","European Journal of Mineralogy","2005","17","","741","747","10.1127/0935-1221/2005/0017-0741","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005740","11.838","","12.347","","6.2973","","90","","114.353","","90","","838.539","","","","","","","","","","","","Rubindi pegmatite, Rwanda","6","P 1 21/n 1","-P 2yn","14","","","Ferrorosemaryite","- Al1.846 Fe3.996 Mn0.366 Na0.501 O24 P6 -","- Al1.846 Fe3.996 Mn0.366 Na0.501 O24 P6 -","- Al3.692 Fe7.992 Mn0.732 Na1.002 O48 P12 -","2","0.5","","Hatert, F.; Lefevre, P.; Fransolet, A. M.; Spirlet, M. R.; Rebbouh, L.; Fontan, F.; Keller, P.","Ferrorosemaryite, NaFe2+Fe3+Al(PO4)3, a new phosphate mineral from the Rubindi pegmatite, Rwanda","European Journal of Mineralogy","2005","17","","749","759","10.1127/0935-1221/2005/0017-0749","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005741","9.0352","","9.0352","","9.0352","","90","","90","","90","","737.587","","","","","","","","","","","","Mt. Vesuvio, Italy","9","P -4 3 n","P -4n 2 3","218","","","Sodalite","- C0.15 Al3 Ca0.616 Cl0.47 K0.7 Na2.64 O13.986 S0.384 Si3 -","- C0.15 Al3 Ca0.616 Cl0.47 K0.7 Na2.64 O13.9856 S0.384 Si3 -","- C0.3 Al6 Ca1.232 Cl0.94 K1.4 Na5.28 O27.9712 S0.768 Si6 -","2","0.0833333","","Ballirano, P.; Maras, A.","Crystal chemical and structural characterization of an unusual CO3-bearing sodalite-group mineral","European Journal of Mineralogy","2005","17","","805","812","10.1127/0935-1221/2005/0017-0805","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9005742","12.8514","","12.8514","","5.0468","","90","","90","","120","","721.851","","","","","","","","","","","","Synthetic","6","P 63","P 6c","173","","","","- Co3 Cs H1.226 Na3 O13.226 P3 -","- Co3 Cs H1.226 Na3 O13.226 P3 -","- Co6 Cs2 H2.452 Na6 O26.452 P6 -","2","0.333333","","Bieniok, A.; Brendel, U.; Paulus, E. F.; Amthauer, G.","Microporous cobalto- and zincophosphates with the framework-type of cancrinite Sample: CoPO4-CAN","European Journal of Mineralogy","2005","17","","813","818","10.1127/0935-1221/2005/0017-0813","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005743","12.794","","12.794","","5.066","","90","","90","","120","","718.139","","","","","","","","","","","","Synthetic","6","P 63","P 6c","173","","","","- Cs H0.951 Na3 O12.951 P3 Zn3 -","- Cs H0.951 Na3 O12.951 P3 Zn3 -","- Cs2 H1.902 Na6 O25.902 P6 Zn6 -","2","0.333333","","Bieniok, A.; Brendel, U.; Paulus, E. F.; Amthauer, G.","Microporous cobalto- and zincophosphates with the framework-type of cancrinite Sample: ZnPO4-CAN","European Journal of Mineralogy","2005","17","","813","818","10.1127/0935-1221/2005/0017-0813","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005744","11.9492","","12.5548","","6.4966","","90","","114.816","","90","","884.623","","","","100","","","","","","","","Hagendorf, Bavaria, Germany","6","C 1 2/c 1","-C 2yc","15","","","Hagendorfite","- Ca0.17 Fe2 Mn Na1.83 O12 P3 -","- Ca0.17 Fe2 Mn Na1.83 O12 P3 -","- Ca0.68 Fe8 Mn4 Na7.32 O48 P12 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Bernroider, M.; Lottermoser, W.; Amthauer, G.; Roth, G.","Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): Crystal structure determination and 57Fe Mossbauer spectroscopy 100K","European Journal of Mineralogy","2005","17","","915","932","10.1127/0935-1221/2005/0017-0915","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005745","11.9721","","12.5988","","6.5029","","90","","114.841","","90","","890.107","","","","298","","","","","","","","Hagendorf, Bavaria, Germany","6","C 1 2/c 1","-C 2yc","15","","","Hagendorfite","- Ca0.17 Fe2 Mn Na1.83 O12 P3 -","- Ca0.17 Fe2 Mn Na1.83 O12 P3 -","- Ca0.68 Fe8 Mn4 Na7.32 O48 P12 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Bernroider, M.; Lottermoser, W.; Amthauer, G.; Roth, G.","Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): Crystal structure determination and 57Fe Mossbauer spectroscopy 298K","European Journal of Mineralogy","2005","17","","915","932","10.1127/0935-1221/2005/0017-0915","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005746","11.9941","","12.5256","","6.3973","","90","","114.257","","90","","876.235","","","","298","","","","","","","","Buranga, Rwanda","6","C 1 2/c 1","-C 2yc","15","","","Alluaudite","- Al0.52 Ca0.32 Fe2.48 Na0.84 O12 P3 -","- Al0.52 Ca0.32 Fe2.48 Na0.84 O12 P3 -","- Al2.08 Ca1.28 Fe9.92 Na3.36 O48 P12 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Bernroider, M.; Lottermoser, W.; Amthauer, G.; Roth, G.","Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): Crystal structure determination and 57Fe Mossbauer spectroscopy","European Journal of Mineralogy","2005","17","","915","932","10.1127/0935-1221/2005/0017-0915","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005883","4.937","","5.2321","","7.2045","","90","","90","","90","","186.099","","","","283.15","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Al O3 Sc -","- Al O3 Sc -","- Al4 O12 Sc4 -","4","0.5","","Hill, R. J.; Jackson, I.","The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 10 C","Physics and Chemistry of Minerals","1990","17","","89","96","10.1007/BF00209229","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005884","4.9597","","5.2471","","7.2353","","90","","90","","90","","188.292","","","","773.15","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Al O3 Sc -","- Al O3 Sc -","- Al4 O12 Sc4 -","4","0.5","","Hill, R. J.; Jackson, I.","The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 500 C","Physics and Chemistry of Minerals","1990","17","","89","96","10.1007/BF00209229","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005885","4.9767","","5.2584","","7.2604","","90","","90","","90","","190.001","","","","1073.15","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Al O3 Sc -","- Al O3 Sc -","- Al4 O12 Sc4 -","4","0.5","","Hill, R. J.; Jackson, I.","The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 800 C","Physics and Chemistry of Minerals","1990","17","","89","96","10.1007/BF00209229","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005886","4.993","","5.269","","7.2846","","90","","90","","90","","191.644","","","","1373.15","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Al O3 Sc -","- Al O3 Sc -","- Al4 O12 Sc4 -","4","0.5","","Hill, R. J.; Jackson, I.","The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 1100 C","Physics and Chemistry of Minerals","1990","17","","89","96","10.1007/BF00209229","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005887","8.0821","","8.0821","","8.0821","","90","","90","","90","","527.926","","","","301","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN I, T = 301 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005888","8.0968","","8.0968","","8.0968","","90","","90","","90","","530.811","","","","580","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN I, T = 580 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005889","8.1178","","8.1178","","8.1178","","90","","90","","90","","534.952","","","","892","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN I, T = 892 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005890","8.1289","","8.1289","","8.1289","","90","","90","","90","","537.15","","","","995","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN I, T = 995 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005891","8.1484","","8.1484","","8.1484","","90","","90","","90","","541.025","","","","1098","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN I, T = 1098 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005892","8.1637","","8.1637","","8.1637","","90","","90","","90","","544.078","","","","1144","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN I, T = 1144 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005893","8.1773","","8.1773","","8.1773","","90","","90","","90","","546.802","","","","1170","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN I, T = 1170 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005894","8.1893","","8.1893","","8.1893","","90","","90","","90","","549.212","","","","1185","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN I, T = 1185 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005895","8.1975","","8.1975","","8.1975","","90","","90","","90","","550.864","","","","1201","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN I, T = 1201 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005896","8.0837","","8.0837","","8.0837","","90","","90","","90","","528.239","","","","296","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN II, T = 296 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005897","8.1099","","8.1099","","8.1099","","90","","90","","90","","533.392","","","","773","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN II, T = 773 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005898","8.1439","","8.1439","","8.1439","","90","","90","","90","","540.129","","","","1073","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN II, T = 1073 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005899","8.1546","","8.1546","","8.1546","","90","","90","","90","","542.261","","","","1123","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN II, T = 1123 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005900","8.1691","","8.1691","","8.1691","","90","","90","","90","","545.158","","","","1190","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Liu, X.; Prewitt, C. T.","High-temperature X-ray diffraction study of Co3O4: transition from normal to disordered spinel Sample: RUN II, T = 1190 K","Physics and Chemistry of Minerals","1990","17","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005901","4.7787","","4.9313","","6.9083","","90","","90","","90","","162.795","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Ross, N. L.; Hazen, R. M.","High-pressure crystal chemistry of MgSiO3 perovskite Sample: P = .001a GPa","Physics and Chemistry of Minerals","1990","17","","228","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005902","4.777","","4.927","","6.89772","","90","","90","","90","","162.347","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Ross, N. L.; Hazen, R. M.","High-pressure crystal chemistry of MgSiO3 perovskite Sample: P = .001b GPa","Physics and Chemistry of Minerals","1990","17","","228","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005903","4.762","","4.918","","6.8767","","90","","90","","90","","161.049","","","","","","","","2200000","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Ross, N. L.; Hazen, R. M.","High-pressure crystal chemistry of MgSiO3 perovskite Sample: P = 2.2 GPa","Physics and Chemistry of Minerals","1990","17","","228","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005904","4.746","","4.899","","6.8538","","90","","90","","90","","159.355","","","","","","","","5000000","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Ross, N. L.; Hazen, R. M.","High-pressure crystal chemistry of MgSiO3 perovskite Sample: P = 5.0 GPa","Physics and Chemistry of Minerals","1990","17","","228","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005905","4.7321","","4.892","","6.836","","90","","90","","90","","158.25","","","","","","","","7500000","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Ross, N. L.; Hazen, R. M.","High-pressure crystal chemistry of MgSiO3 perovskite Sample: P = 7.5 GPa","Physics and Chemistry of Minerals","1990","17","","228","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005906","4.71","","4.873","","6.807","","90","","90","","90","","156.233","","","","","","","","10600000","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Ross, N. L.; Hazen, R. M.","High-pressure crystal chemistry of MgSiO3 perovskite Sample: P = 10.6 GPa","Physics and Chemistry of Minerals","1990","17","","228","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005907","5.7107","","11.4675","","8.2778","","90","","90","","90","","542.092","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","Wadsleyite","- Fe0.2 Mg1.8 O4 Si -","- Fe0.2 Mg1.8 O4 Si -","- Fe1.6 Mg14.4 O32 Si8 -","8","0.5","","Sawamoto, H.; Horiuchi, H.","Beta (Mg0.9Fe0.1)2SiO4: single crystal structure, cation distribution, and properties of coordination polyhedra","Physics and Chemistry of Minerals","1990","17","","293","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005908","4.7871","","10.3325","","6.0347","","90","","90","","90","","298.493","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","Olivine","- Ca0.006 Fe0.825 Mg1.139 Mn0.03 O4 Si -","- Ca0.006 Fe0.825 Mg1.139 Mn0.03 O4 Si -","- Ca0.024 Fe3.3 Mg4.556 Mn0.12 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3149*","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005909","4.7891","","10.3321","","6.0346","","90","","90","","90","","298.601","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","Olivine","- Ca0.006 Fe0.825 Mg1.139 Mn0.03 O4 Si -","- Ca0.006 Fe0.825 Mg1.139 Mn0.03 O4 Si -","- Ca0.024 Fe3.3 Mg4.556 Mn0.12 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3149b","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005910","4.7911","","10.3316","","6.035","","90","","90","","90","","298.731","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","Olivine","- Ca0.006 Fe0.825 Mg1.139 Mn0.03 O4 Si -","- Ca0.006 Fe0.825 Mg1.139 Mn0.03 O4 Si -","- Ca0.024 Fe3.3 Mg4.556 Mn0.12 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3149c","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005911","4.7688","","10.256","","6.0065","","90","","90","","90","","293.771","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","Olivine","- Ca0.005 Fe0.399 Mg1.583 Mn0.012 O4 Si -","- Ca0.005 Fe0.399 Mg1.583 Mn0.012 O4 Si -","- Ca0.02 Fe1.596 Mg6.332 Mn0.048 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3153*","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005912","4.7696","","10.255","","6.0053","","90","","90","","90","","293.733","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","Olivine","- Ca0.005 Fe0.399 Mg1.583 Mn0.012 O4 Si -","- Ca0.005 Fe0.399 Mg1.583 Mn0.012 O4 Si -","- Ca0.02 Fe1.596 Mg6.332 Mn0.048 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3153a","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005913","4.7701","","10.2556","","6.006","","90","","90","","90","","293.815","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","Olivine","- Ca0.005 Fe0.399 Mg1.584 Mn0.012 O4 Si -","- Ca0.005 Fe0.399 Mg1.584 Mn0.012 O4 Si -","- Ca0.02 Fe1.596 Mg6.336 Mn0.048 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3153b","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005914","4.7687","","10.2555","","6.0066","","90","","90","","90","","293.755","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","Olivine","- Ca0.005 Fe0.399 Mg1.583 Mn0.012 O4 Si -","- Ca0.005 Fe0.399 Mg1.583 Mn0.012 O4 Si -","- Ca0.02 Fe1.596 Mg6.332 Mn0.048 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3153c","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005915","4.7624","","10.2243","","5.9922","","90","","90","","90","","291.773","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","Olivine","- Fe0.199 Mg1.793 Mn0.003 Ni0.005 O4 Si -","- Fe0.199 Mg1.793 Mn0.003 Ni0.005 O4 Si -","- Fe0.796 Mg7.172 Mn0.012 Ni0.02 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: CC37*","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005916","4.7631","","10.223","","5.992","","90","","90","","90","","291.769","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","Olivine","- Fe0.2 Mg1.792 Mn0.003 Ni0.005 O4 Si -","- Fe0.2 Mg1.792 Mn0.003 Ni0.005 O4 Si -","- Fe0.8 Mg7.168 Mn0.012 Ni0.02 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: CC37a","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005917","4.7617","","10.2246","","5.9922","","90","","90","","90","","291.739","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","Olivine","- Fe0.199 Mg1.793 Mn0.003 Ni0.005 O4 Si -","- Fe0.199 Mg1.793 Mn0.003 Ni0.005 O4 Si -","- Fe0.796 Mg7.172 Mn0.012 Ni0.02 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: CC37b","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005918","4.7606","","10.2234","","5.9942","","90","","90","","90","","291.735","","","","","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","Olivine","- Fe0.2 Mg1.792 Mn0.003 Ni0.005 O4 Si -","- Fe0.2 Mg1.792 Mn0.003 Ni0.005 O4 Si -","- Fe0.8 Mg7.168 Mn0.012 Ni0.02 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: CC37c","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005919","4.762","","10.2257","","5.993","","90","","90","","90","","291.828","","","","","","","","","","","","","7","P b n m","-P 2c 2ab","62","","","Olivine","- Ca0.007 Fe0.164 Mg1.817 Mn0.003 Ni0.01 O4 Si -","- Ca0.007 Fe0.164 Mg1.817 Mn0.003 Ni0.01 O4 Si -","- Ca0.028 Fe0.656 Mg7.268 Mn0.012 Ni0.04 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3263*","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005920","4.762","","10.2207","","5.9907","","90","","90","","90","","291.573","","","","","","","","","","","","","7","P b n m","-P 2c 2ab","62","","","Olivine","- Ca0.007 Fe0.164 Mg1.817 Mn0.003 Ni0.01 O4 Si -","- Ca0.007 Fe0.164 Mg1.817 Mn0.003 Ni0.01 O4 Si -","- Ca0.028 Fe0.656 Mg7.268 Mn0.012 Ni0.04 O16 Si4 -","4","0.5","","Ottonello, G.; Princivalle, F.; Della Giusta, A.","Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3263d","Physics and Chemistry of Minerals","1990","17","","301","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005921","7.0722","","8.7302","","6.5672","","90","","113.84","","90","","370.875","","","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 294 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005922","7.0746","","8.7373","","6.5723","","90","","113.811","","90","","371.674","","","","350","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 350 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005923","7.073","","8.7374","","6.5716","","90","","113.804","","90","","371.574","","","","400","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 400 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005924","7.0715","","8.7365","","6.5717","","90","","113.788","","90","","371.509","","","","430","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 430 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005925","7.0701","","8.7405","","6.5747","","90","","113.773","","90","","371.818","","","","440","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 440 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005926","7.0706","","8.7416","","6.5751","","90","","113.768","","90","","371.928","","","","450","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 450 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005927","7.0719","","8.7464","","6.5783","","90","","113.751","","90","","372.43","","","","500","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 500 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005928","7.073","","8.7508","","6.5824","","90","","113.729","","90","","372.971","","","","600","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 600 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005929","7.0726","","8.7558","","6.5859","","90","","113.699","","90","","373.447","","","","700","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Ghose, S.; Ito, Y.; Hatch, D. M.","Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 700 K","Physics and Chemistry of Minerals","1991","17","","591","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005930","5.2245","","5.2245","","5.2245","","90","","90","","90","","142.605","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: P = O GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9005931","5.182","","5.182","","5.182","","90","","90","","90","","139.153","","","","","","","","1800000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #146, P = 1.80 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005932","5.168","","5.168","","5.168","","90","","90","","90","","138.028","","","","","","","","3010000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #147, P = 3.01 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005933","5.157","","5.157","","5.157","","90","","90","","90","","137.149","","","","","","","","3250000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #148, P = 3.25 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005934","5.148","","5.148","","5.148","","90","","90","","90","","136.432","","","","","","","","3570000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #149, P = 3.57 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005935","5.103","","5.103","","5.103","","90","","90","","90","","132.885","","","","","","","","5810000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #150, P = 5.81 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005936","5.078","","5.078","","5.078","","90","","90","","90","","130.942","","","","","","","","7190000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #151, P = 7.19 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005937","5.051","","5.051","","5.051","","90","","90","","90","","128.864","","","","","","","","8560000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #152, P = 8.56 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005938","5.067","","5.067","","5.067","","90","","90","","90","","130.093","","","","","","","","7850000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #153, P = 7.85 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005939","5.022","","5.022","","5.022","","90","","90","","90","","126.657","","","","","","","","11300000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #154, P = 11.3 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005940","5.009","","5.009","","5.009","","90","","90","","90","","125.676","","","","","","","","11800000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #155, P = 11.8 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005941","5.008","","5.008","","5.008","","90","","90","","90","","125.601","","","","","","","","12300000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #156, P = 12.3 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005942","4.977","","4.977","","4.977","","90","","90","","90","","123.283","","","","","","","","13800000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #157, P = 13.8 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005943","4.951","","4.951","","4.951","","90","","90","","90","","121.361","","","","","","","","17100000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #158, P = 17.1 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005944","4.904","","4.904","","4.904","","90","","90","","90","","117.937","","","","","","","","20100000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #159, P = 20.1 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005945","4.895","","4.895","","4.895","","90","","90","","90","","117.289","","","","","","","","21100000","","","","","2","F m -3 m","-F 4 2 3","225","","","Alabandite","- Mn S -","- Mn S -","- Mn4 S4 -","4","0.0208333","","McCammon, C. A.","Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #160, P = 21.1 GPa","Physics and Chemistry of Minerals","1991","17","","636","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9007476","10.11","","7.212","","24.41","","90","","98.3","","90","","1761.17","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Hexahydrite","- H12 Mg O10 S -","- H12 Mg O10 S -","- H96 Mg8 O80 S8 -","8","1","","Zalkin, A.; Ruben, H.; Templeton, D. H.","The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate","Acta Crystallographica","1964","17","3","235","240","10.1107/S0365110X64000603","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:20:56",""
"9007477","4.987","","4.987","","5.652","","90","","90","","120","","121.734","","","","","","","","","","","","","2","P 32 2 1","","","","","","- Ge O2 -","- Ge O2 -","- Ge3 O6 -","3","0.5","","Smith, G. S.; Isaacs, P. B.","The crystal structure of quartz-like GeO2 Note: polymorph of argutite","Acta Crystallographica","1964","17","","842","846","10.1107/S0365110X64002262","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007478","12.862","","4.411","","13.22","","90","","98.63","","90","","741.535","","","","","","","","","","","","Braunsdorf, Saxony","3","C 1 c 1","C -2yc","9","","","Miargyrite","- Ag S2 Sb -","- Ag S2 Sb -","- Ag8 S16 Sb8 -","8","2","","Knowles, C. R.","A redetermination of the structure of miargyrite, AgSbS2","Acta Crystallographica","1964","17","","847","851","10.1107/S0365110X64002274","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007479","6.772","","17.51","","7.744","","90","","94.3","","90","","915.681","","","","","","","","","","","","Strontian, Argyll, Scotland","7","P 1 21/m 1","-P 2yb","11","","","Brewsterite-Sr","- Al1.98 Ba0.3 Ca0.14 H8 O20.9 Si6.02 Sr0.58 -","- Al1.98 Ba0.3 Ca0.14 H9.8 O20.9 Si6.02 Sr0.58 -","- Al3.96 Ba0.6 Ca0.28 H19.6 O41.8 Si12.04 Sr1.16 -","2","0.5","","Perrotta, A. J.; Smith, J. V.","The crystal structure of brewsterite, (Sr,Ba,Ca)(Al2Si6O16)*5H2O Note: zeolite","Acta Crystallographica","1964","17","","857","862","10.1107/S0365110X64002298","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007480","5.922","","13.604","","7.905","","90","","90.85","","90","","636.78","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Starkeyite","- H8 Mg O8 S -","- H8 Mg O8 S -","- H32 Mg4 O32 S4 -","4","1","","Baur, W. H.","On the crystal chemistry of salt hydrates. II. A neutron diffraction study of MgSO4*4H2O","Acta Crystallographica","1964","17","7","863","869","10.1107/S0365110X64002304","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:20:56",""
"9007481","13.62","","6.3","","5.42","","90","","95.833","","90","","462.661","","","","","","","","","","","","Goodsprings, Nevada, USA","4","C 1 2/m 1","-C 2y","12","","","Hydrozincite","- C2 H6 O12 Zn5 -","- C2 H6 O12 Zn5 -","- C4 H12 O24 Zn10 -","2","0.25","","Ghose, S.","The crystal structure of hydrozincite, Zn5(OH)6(CO3)2","Acta Crystallographica","1964","17","","1051","1057","10.1107/S0365110X64002651","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007482","14.072","","6.503","","11.041","","90","","105.57","","90","","973.287","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Melanterite","- Fe H14 O11 S -","- Fe H14 O11 S -","- Fe4 H56 O44 S4 -","4","1","","Baur, W. H.","On the crystal chemistry of salt hydrates. III. The determination of the crystal structure of FeSO4*7H2O (melanterite) Locality: synthetic","Acta Crystallographica","1964","17","","1167","1174","10.1107/S0365110X64003000","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:08",""
"9007483","11.868","","11.996","","6.857","","90","","90","","90","","976.221","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","Epsomite","- H14 Mg O11 S -","- H14 Mg O11 S -","- H56 Mg4 O44 S4 -","4","1","","Baur, W. H.","On the crystal chemistry of salt hydrates. IV. The refinement of the crystal structure of MgSO4*7H2O (epsomite) Note: Mg z-coordinate altered in order to reproduce Mg-O bond lengths","Acta Crystallographica","1964","17","11","1361","1369","10.1107/S0365110X64003449","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:21",""
"9007484","9.797","","9.217","","8.199","","90","","113.5","","90","","678.956","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Vanthoffite","- Mg Na6 O16 S4 -","- Mg Na6 O16 S4 -","- Mg2 Na12 O32 S8 -","2","0.5","","Fischer, W.; Hellner, E.","Ueber die struktur des vanthoffits","Acta Crystallographica","1964","17","","1613","1613","10.1107/S0365110X6400398X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009525","5.37","","15.65","","10.72","","90","","95","","90","","897.486","","","","","","","","","","","","","5","C 1","C 1","1","","","Tochilinite","- Fe7.45 H10 Mg3.55 O10 S6 -","- Fe7.45 H10 Mg3.55 O10 S6 -","- Fe14.9 H20 Mg7.1 O20 S12 -","2","","","Organova, N. I.; Drits, V. A.; Dmitrik, A. L.","Structural study of tochilinite. Part I. The isometric variety Note: M-site reported bond lengths are inconsistent with reported structure","Soviet Physics Crystallography","1973","17","","667","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009750","7.586","","7.586","","8.103","","90","","90","","90","","466.307","","","","","","","","","","","","","4","P 42/n n m :2","-P 4ac 2bc","134","","","Mushistonite","- Cu H6 O6 Sn -","- Cu H6 O6 Sn -","- Cu4 H24 O24 Sn4 -","4","0.25","","Morgenstern-Badarau I","Effet Jahn-Teller et structure cristalline de l'hydroxyde CuSn(OH)6","Journal of Solid State Chemistry","1976","17","","399","406","10.1016/S0022-4596(76)80010-2","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:44",""
"9010732","11.525","","11.525","","33.347","","90","","90","","120","","3835.92","","","","","","","","","","","","Le Coreux, Salmchateau, Belgium","6","P 31","P 31","144","","","Stavelotite-(La)","- Cu Fe7 La3 Mn22 O72 Si12 -","- Cu Fe7 La3 Mn22 O72 Si12 -","- Cu3 Fe21 La9 Mn66 O216 Si36 -","3","1","","Bernhardt, H. J.; Armbruster, T.; Fransolet, A. M.; Schreyer, W.","Stavelotite-(La), a new lanthanum-manganese-sorosilicate mineral from the Stavelot Massif, Belgium Locality: Le Coreux, Salmchateau, Belgium","European Journal of Mineralogy","2005","17","","703","714","10.1127/0935-1221/2005/0017-0703","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010733","12.8784","","12.8784","","37.0078","","90","","90","","120","","5315.54","","","","","","","","","","","","Latera Caldera, Farnese, Viterbo Province, Italy","10","P 63/m","-P 6c","176","","","Farneseite","- Al21 Ca4.26 Cl0.24 F0.078 H10 K4.59 Na17.826 O111.512 S5.366 Si21 -","- Al21 Ca4.26 Cl0.24 F0.078 H3.024 K4.59 Na17.826 O111.512 S5.366 Si21 -","- Al42 Ca8.52 Cl0.48 F0.156 H6.048 K9.18 Na35.652 O223.024 S10.732 Si42 -","2","0.166667","","Camara, F.; Bellatreccia, F.; Della Ventura, G.; Mottana, A.","Farneseite, a new mineral of the cancrinite - sodalite group with a 14-layer stacking sequence: occurence and crystal structure","European Journal of Mineralogy","2005","17","","839","846","10.1127/0935-1221/2005/0017-0839","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9011055","6.7","","6.7","","6.7","","33.53","","33.53","","33.53","","81.736","","","","","","","","","","","","Synthetic","3","R 3 m :R","P 3* -2","160","","","Bornite","- Cu1.25 Fe0.25 S -","- Cu1.2498 Fe0.2502 S -","- Cu2.4996 Fe0.5004 S2 -","2","0.333333","","Morimoto, N.","Structures of two polymorphic forms of Cu5FeS4 Sample: metastable, twin process","Acta Crystallographica","1964","17","","351","360","10.1107/S0365110X64000846","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011056","6.636","","6.636","","6.636","","90","","90","","90","","292.226","","","","","","","","","","","","Synthetic","1","I a -3","-I 2b 2c 3","206","","","Silicon","- Si -","- Si -","- Si16 -","16","0.333333","","Kasper, J. S.; Richards, S. M.","The crystal structures of new forms of silicon and germanium","Acta Crystallographica","1964","17","","752","755","10.1107/S0365110X64001840","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011057","5.93","","5.93","","6.98","","90","","90","","90","","245.451","","","","","","","","","","","","Synthetic","1","P 43 21 2","P 4nw 2abw","96","","","Germanium","- Ge -","- Ge -","- Ge12 -","12","1.5","","Kasper, J. S.; Richards, S. M.","The crystal structures of new forms of silicon and germanium","Acta Crystallographica","1964","17","","752","755","10.1107/S0365110X64001840","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011058","8.859","","8.859","","5.038","","90","","90","","120","","342.419","","","","","","","","","","","","Synthetic","3","P 3 2 1","P 3 2""","150","","","Malladrite","- F6 Na2 Si -","- F6 Na2 Si -","- F18 Na6 Si3 -","3","0.5","","Zalkin, A.; Forrester, J. D.; Templeton, D. H.","The crystal structure of sodium fluorosilicate","Acta Crystallographica","1964","17","","1408","1412","10.1107/S0365110X64003516","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011599","2.67","","2.67","","4.966","","90","","90","","120","","30.659","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Zinc","","Zinc","- Zn -","- Zn -","- Zn2 -","2","0.0833333","","Hull, A. W.; Davey, W. P.","Graphical determination of hexagonal and tetragonal crystal structures from X-ray data","Physical Review","1921","17","","549","570","10.1103/PhysRev.17.549","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011854","4.645","","4.645","","3.02","","90","","90","","90","","65.16","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O2 Ta0.5 Ti0.5 -","- O2 Ta0.5 Ti0.5 -","- O4 Ta Ti -","2","0.125","","Astrov, D. N.; Kryukova, N. A.; Zorin, R. B.; Makarov, V. A.; Ozerov, R. P.; Rozhdestvenskii, F. A.; Smirnov, V. P.; Turchaninov, A. M.; Fadeeva, N. V.","Atomic and molecular ordering in MeTaO4 (Me=Ti,V,Cr,Fe) with a rutile structure","Soviet Physics Crystallography","1972","17","","1017","1023","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011855","4.667","","4.667","","3.047","","90","","90","","90","","66.366","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O2 Ta0.5 V0.5 -","- O2 Ta0.5 V0.5 -","- O4 Ta V -","2","0.125","","Astrov, D. N.; Kryukova, N. A.; Zorin, R. B.; Makarov, V. A.; Ozerov, R. P.; Rozhdestvenskii, F. A.; Smirnov, V. P.; Turchaninov, A. M.; Fadeeva, N. V.","Atomic and molecular ordering in MeTaO4 (Me=Ti,V,Cr,Fe) with a rutile structure","Soviet Physics Crystallography","1972","17","","1017","1023","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011856","4.638","","4.638","","3.018","","90","","90","","90","","64.92","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cr0.5 O2 Ta0.5 -","- Cr0.5 O2 Ta0.5 -","- Cr O4 Ta -","2","0.125","","Astrov, D. N.; Kryukova, N. A.; Zorin, R. B.; Makarov, V. A.; Ozerov, R. P.; Rozhdestvenskii, F. A.; Smirnov, V. P.; Turchaninov, A. M.; Fadeeva, N. V.","Atomic and molecular ordering in MeTaO4 (Me=Ti,V,Cr,Fe) with a rutile structure","Soviet Physics Crystallography","1972","17","","1017","1023","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011857","4.679","","4.679","","3.047","","90","","90","","90","","66.708","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Fe0.5 O2 Ta0.5 -","- Fe0.5 O2 Ta0.5 -","- Fe O4 Ta -","2","0.125","","Astrov, D. N.; Kryukova, N. A.; Zorin, R. B.; Makarov, V. A.; Ozerov, R. P.; Rozhdestvenskii, F. A.; Smirnov, V. P.; Turchaninov, A. M.; Fadeeva, N. V.","Atomic and molecular ordering in MeTaO4 (Me=Ti,V,Cr,Fe) with a rutile structure","Soviet Physics Crystallography","1972","17","","1017","1023","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011892","10.343","","7.294","","11.093","","90","","90","","96.917","","830.785","","","","","","","","","","","","Russia","6","P 1 1 21/n","-P 2n","14","","","Thalenite-(Y)","- Al0.15 Fe0.15 H O11 Si2.85 Y2.85 -","- Al0.15 Fe0.15 H O11 Si2.85 Y2.85 -","- Al0.6 Fe0.6 H4 O44 Si11.4 Y11.4 -","4","1","","Kornev, A. N.; Batalieva, N. G.; Maksimov, B. A.; Ilyukhin, V. V.; Belov, N. V.","Crystal structure of the talenite Y3 [Si3O10](OH)","Soviet Physics Doklady","1972","17","","88","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012587","11.068","","7.505","","5.378","","90","","90","","90","","446.725","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Rynersonite","- Ca O6 Ta2 -","- Ca O6 Ta2 -","- Ca4 O24 Ta8 -","4","0.5","","Jahnberg, L.","Crystal structure of orthorhombic CaTa2O6","Acta Chemica Scandinavica","1963","17","","2548","2559","10.3891/acta.chem.scand.17-2548","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012719","9.44174","","9.44174","","6.93964","","90","","90","","120","","535.762","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Fluorellestadite","- Ca5 F O12 S1.5 Si1.5 -","- Ca5 F O12 S1.5 Si1.5 -","- Ca10 F2 O24 S3 Si3 -","2","0.166667","","Pajares, I.; De la Torre, A. G.; Martinez-Ramirez S; Puertas, F.; Blanco-Varela M T; Aranda, M. A. G.","Quantitative analysis of mineralized white Portland clinkers: The structure of fluorellestadite Locality: synthetic","Powder Diffraction","2002","17","","281","286","10.1154/1.1505045","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9013066","4.68","","4.95","","6.13","","90","","90.33","","90","","142.005","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","","Liberite","- Be Li2 O4 Si -","- Be Li2 O4 Si -","- Be2 Li4 O8 Si2 -","2","1","","Han-ching C","The crystal structure of liberite","Kexue Tongbao","1966","17","","425","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013468","8.752","","7.084","","8.629","","90","","93.68","","90","","533.888","","","","120","","","","","","","","Synthetic","2","P 1 21/n 1","-P 2yn","14","","","","- N S -","- N S -","- N16 S16 -","16","4","","LeLucia, M. L.; Coppens, P.","Crystal structure of tetrasulfur tetranitride (S4N4) at 120 K Note: T = 120 K","Inorganic Chemistry","1978","17","","2336","2338","10.1021/ic50186a072","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9015045","7.78","","7.78","","7.78","","113.1","","113.1","","113.1","","304.25","","","","","","","","","","","","Synthetic","2","R -3 :R","-P 3*","148","","","Ice II","- H2 O -","- H2 O -","- H24 O12 -","12","2","","Kamb, B.","Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa","Acta Crystallographica","1964","17","","1437","1449","10.1107/S0365110X64003553","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015983","8.019","","9.703","","6.13","","90","","90","","90","","476.965","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","","- B H O2 -","- B H O2 -","- B12 H12 O24 -","12","1.5","","Peters, C. R.; Milberg, M. E.","The refined structure of orthorhombic metaboric acid Note T = -130 C","Acta Crystallographica","1964","17","","229","234","10.1107/S0365110X64000597","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016584","5.09","","6.748","","4.523","","90","","90","","90","","155.353","","","","","","","","","","","","Synthetic","2","P n m a","-P 2ac 2n","62","","","Cohenite","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Herbstein, F. H.; Smuts, J.","Comparison of X-ray and neutron-diffraction refinements of the structure of cementite Fe3C","Acta Crystallographica","1964","17","","1331","1332","10.1107/S0365110X64003346","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017150","5.788","","5.788","","5.788","","90","","90","","90","","193.903","","","","","","","","","","","","Onverwacht mine, Transvaal","7","P a -3","-P 2ac 2ab 3","205","","","Platarsite","- As1.02 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S0.98 -","- As1.02 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S0.98 -","- As4.08 Ir0.2 Os0.04 Pt1.4 Rh1.24 Ru1.16 S3.92 -","4","0.166667","","Szymanski, J. T.","The crystal structure of platarsite, Pt(As,S)2, and a comparison with sperrylite, PtAs2","The Canadian Mineralogist","1979","17","","117","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017291","9.241","","12.554","","6.243","","90","","106.97","","90","","692.724","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Nickelboussingaultite","- H20 N2 Ni O14 S2 -","- H20 N2 Ni O14 S2 -","- H40 N4 Ni2 O28 S4 -","2","0.5","","Montgomery, H.; Lingafelter, E. C.","The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate","Acta Crystallographica","1964","17","","1478","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017292","9.383","","12.669","","6.22","","90","","107.05","","90","","706.895","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Boussingaultite","- H20 Mg N2 O14 S2 -","- H20 Mg N2 O14 S2 -","- H40 Mg2 N4 O28 S4 -","2","0.5","","Montgomery, H.; Lingafelter, E. C.","The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate","Acta Crystallographica","1964","17","","1478","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017388","13.682","","13.682","","13.916","","90","","90","","120","","2256.03","","","","","","","","","","","","Carr Boyd Rocks mine, Western Australia","6","R -3 :H","-R 3","148","","","Paratacamite-(Ni)","- Cl2 Co0.02 Cu3.27 H6 Ni0.71 O6 -","- Cl2 Co0.02 Cu3.27 H6 Ni0.71 O6 -","- Cl24 Co0.24 Cu39.24 H72 Ni8.52 O72 -","12","0.666667","","Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Downes, P. J.; Welch, M. D.; Kampf, A. R.","Paratacamite-(Ni), Cu3(Ni,Cu)Cl2(OH)6, a new mineral from the Carr Boyd Rocks mine, Western Australia","Australian Journal of Mineralogy","2013","17","","39","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""